Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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Potassium tris(1-pyrazolyl)borohydride, 93%

CAS: 18583-60-3 Molecular Formula: C9H10BKN6 Molecular Weight (g/mol): 252.13 MDL Number: MFCD00040346 InChI Key: IBNGZWIUPDMZMG-UHFFFAOYSA-N Synonym: potassium hydrotris 1-pyrazolyl borate,potassium hydridotri 1h-pyrazol-1-yl borate 1-,potassium hydro-tris 1-pyrazolyl borate,potassium tri 1h-pyrazol-1-yl hydroborate,potassium tri 1-pyrazolyl borohydride,potassium hydrotris 1-pyrazolato borate, hydrate IUPAC Name: potassium tris(1H-pyrazol-1-yl)boranuide SMILES: [K+].C1=CN(N=C1)[BH-](N1C=CC=N1)N1C=CC=N1

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Specifications

CAS	18583-60-3
Molecular Weight (g/mol)	252.13
MDL Number	MFCD00040346
SMILES	[K+].C1=CN(N=C1)[BH-](N1C=CC=N1)N1C=CC=N1
Synonym	potassium hydrotris 1-pyrazolyl borate,potassium hydridotri 1h-pyrazol-1-yl borate 1-,potassium hydro-tris 1-pyrazolyl borate,potassium tri 1h-pyrazol-1-yl hydroborate,potassium tri 1-pyrazolyl borohydride,potassium hydrotris 1-pyrazolato borate, hydrate
IUPAC Name	potassium tris(1H-pyrazol-1-yl)boranuide
InChI Key	IBNGZWIUPDMZMG-UHFFFAOYSA-N
Molecular Formula	C9H10BKN6

3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride, 97%

CAS: 80466-78-0 Molecular Formula: C5H7ClN2O2S Molecular Weight (g/mol): 194.63 MDL Number: MFCD04969910 InChI Key: NBGSZCQLPLYKJH-UHFFFAOYSA-N Synonym: 1h-pyrazole-4-sulfonylchloride, 3,5-dimethyl,3,5-dimethylpyrazol-4-yl chlorosulfone,1h-pyrazole-4-sulfonyl chloride, 3,5-dimethyl,pyrazole, 4-chlorosulfonyl-3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-sulfonylchloride,# PubChem CID: 594587 IUPAC Name: 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride SMILES: CC1=C(C(C)=NN1)S(Cl)(=O)=O

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Specifications

PubChem CID	594587
CAS	80466-78-0
Molecular Weight (g/mol)	194.63
MDL Number	MFCD04969910
SMILES	CC1=C(C(C)=NN1)S(Cl)(=O)=O
Synonym	1h-pyrazole-4-sulfonylchloride, 3,5-dimethyl,3,5-dimethylpyrazol-4-yl chlorosulfone,1h-pyrazole-4-sulfonyl chloride, 3,5-dimethyl,pyrazole, 4-chlorosulfonyl-3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-sulfonylchloride,#
IUPAC Name	3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
InChI Key	NBGSZCQLPLYKJH-UHFFFAOYSA-N
Molecular Formula	C5H7ClN2O2S

1-Methyl-1H-pyrazole, 97+%

CAS: 930-36-9 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00144943 InChI Key: UQFQONCQIQEYPJ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255 PubChem CID: 70255 ChEBI: CHEBI:59025 IUPAC Name: 1-methylpyrazole SMILES: CN1C=CC=N1

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Specifications

PubChem CID	70255
CAS	930-36-9
Molecular Weight (g/mol)	82.106
ChEBI	CHEBI:59025
MDL Number	MFCD00144943
SMILES	CN1C=CC=N1
Synonym	1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255
IUPAC Name	1-methylpyrazole
InChI Key	UQFQONCQIQEYPJ-UHFFFAOYSA-N
Molecular Formula	C4H6N2

N,N'-Di-BOC-1H-pyrazole-1-carboxamidine, 98%

CAS: 152120-54-2 Molecular Formula: C₁₄H₂₂N₄O₄ Molecular Weight (g/mol): 310.35 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

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Specifications

PubChem CID	6383521
CAS	152120-54-2
Molecular Weight (g/mol)	310.35
SMILES	CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Synonym	n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
IUPAC Name	tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
InChI Key	QFNFDHNZVTWZED-UHFFFAOYSA-N
Molecular Formula	C₁₄H₂₂N₄O₄

4-Nitro-1H-pyrazole, 97%

CAS: 2075-46-9 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159626 InChI Key: XORHNJQEWQGXCN-UHFFFAOYSA-N Synonym: 4-nitropyrazole,1h-pyrazole, 4-nitro,pyrazole, 4-nitro,4-nitropyrrazole,4-nitropyrazol,4-nitro-pyrazole,4-no2-pyrazole,4-nitro-1h-pyrazol,1h-pyrazole-4-nitro,pubchem14984 PubChem CID: 16376 IUPAC Name: 4-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CNN=C1

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Specifications

PubChem CID	16376
CAS	2075-46-9
Molecular Weight (g/mol)	113.08
MDL Number	MFCD00159626
SMILES	[O-][N+](=O)C1=CNN=C1
Synonym	4-nitropyrazole,1h-pyrazole, 4-nitro,pyrazole, 4-nitro,4-nitropyrrazole,4-nitropyrazol,4-nitro-pyrazole,4-no2-pyrazole,4-nitro-1h-pyrazol,1h-pyrazole-4-nitro,pubchem14984
IUPAC Name	4-nitro-1H-pyrazole
InChI Key	XORHNJQEWQGXCN-UHFFFAOYSA-N
Molecular Formula	C3H3N3O2

1H-Pyrazole-3-boronic acid hydrate, 95%

CAS: 376584-63-3 Molecular Formula: C3H5BN2O2 Molecular Weight (g/mol): 111.90 MDL Number: MFCD07368247 MFCD02020768 InChI Key: NEUWPDLMDVINSN-UHFFFAOYSA-N Synonym: 1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid PubChem CID: 11251979 IUPAC Name: 1H-pyrazol-5-ylboronic acid SMILES: OB(O)C1=NNC=C1

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Specifications

PubChem CID	11251979
CAS	376584-63-3
Molecular Weight (g/mol)	111.90
MDL Number	MFCD07368247 MFCD02020768
SMILES	OB(O)C1=NNC=C1
Synonym	1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid
IUPAC Name	1H-pyrazol-5-ylboronic acid
InChI Key	NEUWPDLMDVINSN-UHFFFAOYSA-N
Molecular Formula	C3H5BN2O2

4-Methylpyrazole, 97%

CAS: 7554-65-6 Molecular Formula: C₄H₆N₂ Molecular Weight (g/mol): 82.11 InChI Key: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC Name: 4-methyl-1H-pyrazole SMILES: CC1=CNN=C1

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Specifications

PubChem CID	3406
CAS	7554-65-6
Molecular Weight (g/mol)	82.11
ChEBI	CHEBI:5141
SMILES	CC1=CNN=C1
Synonym	4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn
IUPAC Name	4-methyl-1H-pyrazole
InChI Key	RIKMMFOAQPJVMX-UHFFFAOYSA-N
Molecular Formula	C₄H₆N₂

Bendazac, Thermo Scientific Chemicals

CAS: 20187-55-7 Molecular Formula: C16H13N2NaO3 Molecular Weight (g/mol): 304.28 InChI Key: GHFGHIKJGVMEFT-UHFFFAOYSA-M IUPAC Name: sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate SMILES: [Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12

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Specifications

CAS	20187-55-7
Molecular Weight (g/mol)	304.28
SMILES	[Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
IUPAC Name	sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate
InChI Key	GHFGHIKJGVMEFT-UHFFFAOYSA-M
Molecular Formula	C16H13N2NaO3

5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 852227-86-2 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD07368502 InChI Key: SGEZKPNUNBVVLB-UHFFFAOYSA-N PubChem CID: 4961270 IUPAC Name: 5-(chloromethyl)-1,3-dimethylpyrazole SMILES: CN1N=C(C)C=C1CCl

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Specifications

PubChem CID	4961270
CAS	852227-86-2
Molecular Weight (g/mol)	144.60
MDL Number	MFCD07368502
SMILES	CN1N=C(C)C=C1CCl
IUPAC Name	5-(chloromethyl)-1,3-dimethylpyrazole
InChI Key	SGEZKPNUNBVVLB-UHFFFAOYSA-N
Molecular Formula	C6H9ClN2

3-Nitro-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1

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Specifications

PubChem CID	123419
CAS	26621-44-3
Molecular Weight (g/mol)	113.08
MDL Number	MFCD00159621,MFCD00238787
SMILES	[O-][N+](=O)C1=CC=NN1
Synonym	3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
IUPAC Name	5-nitro-1H-pyrazole
InChI Key	MZRUFMBFIKGOAL-UHFFFAOYSA-N
Molecular Formula	C3H3N3O2

N-Boc-1H-pyrazole-1-carboxamidine, 98+%

CAS: 152120-61-1 Molecular Formula: C9H14N4O2 Molecular Weight (g/mol): 210.237 MDL Number: MFCD00216663 InChI Key: IGSFMHYSWZUENI-UHFFFAOYSA-N Synonym: n-boc-1-guanylpyrazole,n-boc-1h-pyrazole-1-carboxamidine,n-boc-pyrazole-1-carboxamidine,n-tert-butoxycarbonyl-1h-pyrazole-1-carboxamidine,tert-butyl 1e-amino 1h-pyrazol-1-yl methylene carbamate,n-tert-butoxycarbonyl-1 h-pyrazole-1-carboxamidine,h-pyrazole-1-carboxamidine hcl,1h-pyrazole-n-t-butyloxycarbonyl-1-carboxamidine,tert-butoxy-n-iminopyrazolylmethyl carboxamide,tert-butyl imino 1h-pyrazol-1-yl methylcarbamate PubChem CID: 9605068 IUPAC Name: tert-butyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate SMILES: CC(C)(C)OC(=O)N=C(N)N1C=CC=N1

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Specifications

PubChem CID	9605068
CAS	152120-61-1
Molecular Weight (g/mol)	210.237
MDL Number	MFCD00216663
SMILES	CC(C)(C)OC(=O)N=C(N)N1C=CC=N1
Synonym	n-boc-1-guanylpyrazole,n-boc-1h-pyrazole-1-carboxamidine,n-boc-pyrazole-1-carboxamidine,n-tert-butoxycarbonyl-1h-pyrazole-1-carboxamidine,tert-butyl 1e-amino 1h-pyrazol-1-yl methylene carbamate,n-tert-butoxycarbonyl-1 h-pyrazole-1-carboxamidine,h-pyrazole-1-carboxamidine hcl,1h-pyrazole-n-t-butyloxycarbonyl-1-carboxamidine,tert-butoxy-n-iminopyrazolylmethyl carboxamide,tert-butyl imino 1h-pyrazol-1-yl methylcarbamate
IUPAC Name	tert-butyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate
InChI Key	IGSFMHYSWZUENI-UHFFFAOYSA-N
Molecular Formula	C9H14N4O2

5-Bromo-1H-indazole, 97%

CAS: 53857-57-1 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.04 MDL Number: MFCD00839493,MFCD26227374 InChI Key: STVHMYNPQCLUNJ-UHFFFAOYSA-N Synonym: 5-bromoindazole,5-bromo-2h-indazole,1h-indazole, 5-bromo,5-bromo-1hindazole,chembl16425,5-brom-1h-indazol,5-bromoazaindole,5-bromo indazole,5-bromo-indazole PubChem CID: 761929 IUPAC Name: 5-bromo-1H-indazole SMILES: BrC1=CC=C2NN=CC2=C1

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Specifications

PubChem CID	761929
CAS	53857-57-1
Molecular Weight (g/mol)	197.04
MDL Number	MFCD00839493,MFCD26227374
SMILES	BrC1=CC=C2NN=CC2=C1
Synonym	5-bromoindazole,5-bromo-2h-indazole,1h-indazole, 5-bromo,5-bromo-1hindazole,chembl16425,5-brom-1h-indazol,5-bromoazaindole,5-bromo indazole,5-bromo-indazole
IUPAC Name	5-bromo-1H-indazole
InChI Key	STVHMYNPQCLUNJ-UHFFFAOYSA-N
Molecular Formula	C7H5BrN2

4-Amino-1,3,5-trimethyl-1H-pyrazole, 97%

CAS: 28466-21-9 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.175 MDL Number: MFCD00052883 InChI Key: SSDGMKHZMNTWLS-UHFFFAOYSA-N Synonym: 1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine PubChem CID: 161603 IUPAC Name: 1,3,5-trimethylpyrazol-4-amine SMILES: CC1=C(C(=NN1C)C)N

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Specifications

PubChem CID	161603
CAS	28466-21-9
Molecular Weight (g/mol)	125.175
MDL Number	MFCD00052883
SMILES	CC1=C(C(=NN1C)C)N
Synonym	1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine
IUPAC Name	1,3,5-trimethylpyrazol-4-amine
InChI Key	SSDGMKHZMNTWLS-UHFFFAOYSA-N
Molecular Formula	C6H11N3

2-(1H-Pyrazol-3-yl)pyridine, 98%

CAS: 75415-03-1 Molecular Formula: C8H7N3 Molecular Weight (g/mol): 145.17 MDL Number: MFCD00115151 InChI Key: HKEWOTUTAYJWQJ-UHFFFAOYSA-N Synonym: 2-1h-pyrazol-3-yl pyridine,2-1h-pyrazol-5-yl pyridine,2-pyrazol-3-yl-pyridine,2-1h-pyrazol-3-yl-pyridine,2-3-pyrazolyl pyridine,pyridine, 2-1h-pyrazol-3-yl,3-2-pyridyl pyrazole,2-2h-pyrazol-3-yl pyridine,2-3e-pyrazol-3-ylidene-1h-pyridine,pyrazolylpyridine PubChem CID: 2797657 IUPAC Name: 2-(1H-pyrazol-5-yl)pyridine SMILES: N1N=CC=C1C1=CC=CC=N1

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Specifications

PubChem CID	2797657
CAS	75415-03-1
Molecular Weight (g/mol)	145.17
MDL Number	MFCD00115151
SMILES	N1N=CC=C1C1=CC=CC=N1
Synonym	2-1h-pyrazol-3-yl pyridine,2-1h-pyrazol-5-yl pyridine,2-pyrazol-3-yl-pyridine,2-1h-pyrazol-3-yl-pyridine,2-3-pyrazolyl pyridine,pyridine, 2-1h-pyrazol-3-yl,3-2-pyridyl pyrazole,2-2h-pyrazol-3-yl pyridine,2-3e-pyrazol-3-ylidene-1h-pyridine,pyrazolylpyridine
IUPAC Name	2-(1H-pyrazol-5-yl)pyridine
InChI Key	HKEWOTUTAYJWQJ-UHFFFAOYSA-N
Molecular Formula	C8H7N3

Methyl 1H-indazole-6-carboxylate, 95%, Thermo Scientific™

CAS: 170487-40-8 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD07371612 InChI Key: TUSICEWIXLMXEY-UHFFFAOYSA-N Synonym: 1h-indazole-6-carboxylic acid methyl ester,methyl indazole-6-carboxylate,indazole-6-carboxylic acid methyl ester,6-1h indazole carboxylic acid methyl ester,1h-indazole-6-carboxylic acid, methyl ester,pubchem18064,methyl indazole-6carboxylate,ksc494o4p,methyl-1h-indazole-6-carboxylate,2h-indazole-6-carboxylic acid methyl ester PubChem CID: 286535 IUPAC Name: methyl 1H-indazole-6-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=NN2

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Specifications

PubChem CID	286535
CAS	170487-40-8
Molecular Weight (g/mol)	176.175
MDL Number	MFCD07371612
SMILES	COC(=O)C1=CC2=C(C=C1)C=NN2
Synonym	1h-indazole-6-carboxylic acid methyl ester,methyl indazole-6-carboxylate,indazole-6-carboxylic acid methyl ester,6-1h indazole carboxylic acid methyl ester,1h-indazole-6-carboxylic acid, methyl ester,pubchem18064,methyl indazole-6carboxylate,ksc494o4p,methyl-1h-indazole-6-carboxylate,2h-indazole-6-carboxylic acid methyl ester
IUPAC Name	methyl 1H-indazole-6-carboxylate
InChI Key	TUSICEWIXLMXEY-UHFFFAOYSA-N
Molecular Formula	C9H8N2O2

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