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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (676)
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1 – 15 of 906 results
1

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
2

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™

CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1

PubChem CID 2795418
CAS 499770-76-2
Molecular Weight (g/mol) 226.077
SMILES CN1C2=C(C=C(C=C2)CBr)N=N1
Synonym 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole
IUPAC Name 5-(bromomethyl)-1-methylbenzotriazole
InChI Key OSUZHHPMRAIJDY-UHFFFAOYSA-N
Molecular Formula C8H8BrN3
3

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
4

2,5-Dimethyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 23000-14-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD03011595 InChI Key: LHGRUGVXZLHYKE-UHFFFAOYSA-N Synonym: 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid PubChem CID: 2795465 IUPAC Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid SMILES: CC1=C(N=C(O1)C)C(=O)O

PubChem CID 2795465
CAS 23000-14-8
Molecular Weight (g/mol) 141.126
MDL Number MFCD03011595
SMILES CC1=C(N=C(O1)C)C(=O)O
Synonym 2,5-dimethyloxazole-4-carboxylic acid,dimethyl-1,3-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 2,5-dimethyl,2,5-dimethyl-1,3-oxazole-4-carboxylicacid,4-carboxy-2,5-dimethyl-1,3-oxazole,2,5-dimethyl-oxazole-4-carboxylic acid,2.5-dimethyl-1,3-oxazole-4-carboxylic acid
IUPAC Name 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
InChI Key LHGRUGVXZLHYKE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
5

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

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
6

3,5-Dichloro-1H-indazole, 95%, Thermo Scientific Chemicals

CAS: 36760-20-0 Molecular Formula: C7H4Cl2N2 Molecular Weight (g/mol): 187.023 MDL Number: MFCD09263200 InChI Key: QQZISIWJMCCCNH-UHFFFAOYSA-N Synonym: 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole PubChem CID: 268460 IUPAC Name: 3,5-dichloro-2H-indazole SMILES: C1=CC2=NNC(=C2C=C1Cl)Cl

PubChem CID 268460
CAS 36760-20-0
Molecular Weight (g/mol) 187.023
MDL Number MFCD09263200
SMILES C1=CC2=NNC(=C2C=C1Cl)Cl
Synonym 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole
IUPAC Name 3,5-dichloro-2H-indazole
InChI Key QQZISIWJMCCCNH-UHFFFAOYSA-N
Molecular Formula C7H4Cl2N2
7

1H-Indazole-6-carboxylic acid, 97%

CAS: 704-91-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804571 InChI Key: DNCVTVVLMRHJCJ-UHFFFAOYSA-N Synonym: indazole-6-carboxylic acid,1h-indazole-6-carboxylicacid,6-carboxyindazole,6-carboxy-1h-indazole,6-indazolecarboxylic acid,ksc376q7p,1h-indazole-6-carboxylic acid,6-1h indazole carboxylic acid PubChem CID: 16227938 IUPAC Name: 1H-indazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2C=NNC2=C1

PubChem CID 16227938
CAS 704-91-6
Molecular Weight (g/mol) 162.15
MDL Number MFCD06804571
SMILES OC(=O)C1=CC=C2C=NNC2=C1
Synonym indazole-6-carboxylic acid,1h-indazole-6-carboxylicacid,6-carboxyindazole,6-carboxy-1h-indazole,6-indazolecarboxylic acid,ksc376q7p,1h-indazole-6-carboxylic acid,6-1h indazole carboxylic acid
IUPAC Name 1H-indazole-6-carboxylic acid
InChI Key DNCVTVVLMRHJCJ-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
8

5-Amino-1-methyl-1H-pyrazole, 97%

CAS: 1192-21-8 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.12 InChI Key: JESRNIJXVIFVOV-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine PubChem CID: 136927 IUPAC Name: 2-methylpyrazol-3-amine SMILES: CN1C(=CC=N1)N

PubChem CID 136927
CAS 1192-21-8
Molecular Weight (g/mol) 97.12
SMILES CN1C(=CC=N1)N
Synonym 1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine
IUPAC Name 2-methylpyrazol-3-amine
InChI Key JESRNIJXVIFVOV-UHFFFAOYSA-N
Molecular Formula C4H7N3
9

3-Bromo-7-nitroindazole, 98+%

CAS: 74209-34-0 Molecular Formula: C7H4BrN3O2 Molecular Weight (g/mol): 242.03 MDL Number: MFCD00159910 InChI Key: NFSTZPMYAZRZPC-UHFFFAOYSA-N Synonym: 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj PubChem CID: 1649 IUPAC Name: 3-bromo-7-nitro-2H-indazole SMILES: [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12

PubChem CID 1649
CAS 74209-34-0
Molecular Weight (g/mol) 242.03
MDL Number MFCD00159910
SMILES [O-][N+](=O)C1=CC=CC2=C(Br)NN=C12
Synonym 3-bromo-7-nitroindazole,3-bromo-7-nitro-1h-indazole,1h-indazole,3-bromo-7-nitro,brni,3-bromo-7ni,3-br-7-nitroindazole,tocris-0735,lopac-b-2050,d0u6zt,d0x5qj
IUPAC Name 3-bromo-7-nitro-2H-indazole
InChI Key NFSTZPMYAZRZPC-UHFFFAOYSA-N
Molecular Formula C7H4BrN3O2
10

4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

PubChem CID 2094
CAS 315-30-0
Molecular Weight (g/mol) 136.11
ChEBI CHEBI:40279
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
11

Potassium tris(3,5-dimethyl-1-pyrazolyl)borohydride, 99%

CAS: 17567-17-8 Molecular Formula: C15H22BKN6 Molecular Weight (g/mol): 336.29 MDL Number: MFCD00040342 InChI Key: NTWZGFNSHCFHIJ-UHFFFAOYSA-N Synonym: potassium hydrotris 3,5-dimethylpyrazol-1-yl borate,potassium;tris 3,5-dimethylpyrazol-1-yl boron 1-,potassium tri 3,5-dimethyl-1-pyrazolyl borohydride,potassium tris 3,5-dimethyl-1h-pyrazol-1-yl hydrido borate 1- IUPAC Name: potassium tris(3,5-dimethyl-1H-pyrazol-1-yl)boranuide SMILES: [K+].CC1=NN([BH-](N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1

CAS 17567-17-8
Molecular Weight (g/mol) 336.29
MDL Number MFCD00040342
SMILES [K+].CC1=NN([BH-](N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1
Synonym potassium hydrotris 3,5-dimethylpyrazol-1-yl borate,potassium;tris 3,5-dimethylpyrazol-1-yl boron 1-,potassium tri 3,5-dimethyl-1-pyrazolyl borohydride,potassium tris 3,5-dimethyl-1h-pyrazol-1-yl hydrido borate 1-
IUPAC Name potassium tris(3,5-dimethyl-1H-pyrazol-1-yl)boranuide
InChI Key NTWZGFNSHCFHIJ-UHFFFAOYSA-N
Molecular Formula C15H22BKN6
12

1-Methyl-1H-indazole-4-carboxaldehyde, 95%

CAS: 1053655-56-3 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD10699167 InChI Key: SONWSIAHVBTXPB-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde PubChem CID: 37818471 IUPAC Name: 1-methylindazole-4-carbaldehyde SMILES: CN1C2=CC=CC(=C2C=N1)C=O

PubChem CID 37818471
CAS 1053655-56-3
Molecular Weight (g/mol) 160.18
MDL Number MFCD10699167
SMILES CN1C2=CC=CC(=C2C=N1)C=O
Synonym 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde
IUPAC Name 1-methylindazole-4-carbaldehyde
InChI Key SONWSIAHVBTXPB-UHFFFAOYSA-N
Molecular Formula C9H8N2O
13

3-Bromo-1H-indazole, 97%

CAS: 40598-94-5 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD00159926 InChI Key: HTKXRTUKPXEALT-UHFFFAOYSA-N PubChem CID: 721568 IUPAC Name: 3-bromo-2H-indazole SMILES: C1=CC2=C(NN=C2C=C1)Br

PubChem CID 721568
CAS 40598-94-5
Molecular Weight (g/mol) 197.035
MDL Number MFCD00159926
SMILES C1=CC2=C(NN=C2C=C1)Br
IUPAC Name 3-bromo-2H-indazole
InChI Key HTKXRTUKPXEALT-UHFFFAOYSA-N
Molecular Formula C7H5BrN2
14

3-Amino-5-bromo-1H-indazole, 95%

CAS: 61272-71-7 Molecular Formula: C7H6BrN3 Molecular Weight (g/mol): 212.05 MDL Number: MFCD03426696 InChI Key: OMPYFDJVSAMSMA-UHFFFAOYSA-N Synonym: 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine PubChem CID: 817910 IUPAC Name: 5-bromo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(Br)C=C12

PubChem CID 817910
CAS 61272-71-7
Molecular Weight (g/mol) 212.05
MDL Number MFCD03426696
SMILES NC1=NNC2=CC=C(Br)C=C12
Synonym 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine
IUPAC Name 5-bromo-1H-indazol-3-amine
InChI Key OMPYFDJVSAMSMA-UHFFFAOYSA-N
Molecular Formula C7H6BrN3
15

(1-Methyl-1H-pyrazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 84547-61-5 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD08556301 InChI Key: WQFOGLYQVFBDEY-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-5-yl methanol,5-hydroxymethyl-1-methyl-1h-pyrazole,1h-pyrazole-5-methanol, 1-methyl,2-methylpyrazol-3-yl methanol,5-hydroxymethyl-1-methylpyrazole,1h-pyrazole-5-methanol,1-methyl,1-methylpyrazol-5-yl methan-1-ol,1-methylpyrazole-5-methanol,1-methyl-1h-pyrazol-5-yl ;methanol PubChem CID: 11815316 IUPAC Name: (2-methylpyrazol-3-yl)methanol SMILES: CN1C(=CC=N1)CO

PubChem CID 11815316
CAS 84547-61-5
Molecular Weight (g/mol) 112.132
MDL Number MFCD08556301
SMILES CN1C(=CC=N1)CO
Synonym 1-methyl-1h-pyrazol-5-yl methanol,5-hydroxymethyl-1-methyl-1h-pyrazole,1h-pyrazole-5-methanol, 1-methyl,2-methylpyrazol-3-yl methanol,5-hydroxymethyl-1-methylpyrazole,1h-pyrazole-5-methanol,1-methyl,1-methylpyrazol-5-yl methan-1-ol,1-methylpyrazole-5-methanol,1-methyl-1h-pyrazol-5-yl ;methanol
IUPAC Name (2-methylpyrazol-3-yl)methanol
InChI Key WQFOGLYQVFBDEY-UHFFFAOYSA-N
Molecular Formula C5H8N2O