1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide

C12H10BrN7O — CID 56781570

IUPAC1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nn[nH]n2)cnn1-c1cccc(Br)c1
InChIInChI=1S/C12H10BrN7O/c1-7-10(11(21)15-12-16-18-19-17-12)6-14-20(7)9-4-2-3-8(13)5-9/h2-6H,1H3,(H2,15,16,17,18,19,21)
InChIKeyUZCSGKAAAWGKES-UHFFFAOYSA-N
MW348.16 g/mol
LogP1.71
Rot. Bonds3

About 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide

1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide (PubChem CID 56781570) has the molecular formula C12H10BrN7O and a molecular weight of 348.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
PubChem CID56781570
Molecular FormulaC12H10BrN7O
Molecular Weight348.16 g/mol
Exact Mass347.01
IUPAC Name1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nn[nH]n2)cnn1-c1cccc(Br)c1
InChIInChI=1S/C12H10BrN7O/c1-7-10(11(21)15-12-16-18-19-17-12)6-14-20(7)9-4-2-3-8(13)5-9/h2-6H,1H3,(H2,15,16,17,18,19,21)
InChIKeyUZCSGKAAAWGKES-UHFFFAOYSA-N
XLogP1.71
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119369395
2-[2-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241465
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
3-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119232427
1-(3-bromophenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119535088
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]acetic acid
CID 82528327
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl 1-(3-bromophenyl)-5-methylpyrazole-4-carboxylate
CID 166193096

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide (CID 56781570) is 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2nn[nH]n2)cnn1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is UZCSGKAAAWGKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN7O/c1-7-10(11(21)15-12-16-18-19-17-12)6-14-20(7)9-4-2-3-8(13)5-9/h2-6H,1H3,(H2,15,16,17,18,19,21).
What are the key properties of 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-methyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 56781570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).