5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide

C23H17BrN4O2 — CID 1350738

IUPAC5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccccc1Br
InChIInChI=1S/C23H17BrN4O2/c24-20-14-8-7-13-18(20)22(29)27-21-19(23(30)26-16-9-3-1-4-10-16)15-25-28(21)17-11-5-2-6-12-17/h1-15H,(H,26,30)(H,27,29)
InChIKeyJELRMCNRDSVOCW-UHFFFAOYSA-N
MW461.32 g/mol
LogP5.14
Rot. Bonds5

About 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide

5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 1350738) has the molecular formula C23H17BrN4O2 and a molecular weight of 461.32 g/mol. Its IUPAC name is 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide
PubChem CID1350738
Molecular FormulaC23H17BrN4O2
Molecular Weight461.32 g/mol
Exact Mass460.05
IUPAC Name5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccccc1Br
InChIInChI=1S/C23H17BrN4O2/c24-20-14-8-7-13-18(20)22(29)27-21-19(23(30)26-16-9-3-1-4-10-16)15-25-28(21)17-11-5-2-6-12-17/h1-15H,(H,26,30)(H,27,29)
InChIKeyJELRMCNRDSVOCW-UHFFFAOYSA-N
XLogP5.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

SR-318
CID 139030333
7-(5-Bromo-2-fluorophenyl)-N6-(2,4-dimethylphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410433
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
5-amino-N-(5-(1-ethyl-1H-pyrazol-5-ylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52941332
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CID 52944927
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
3-cyano-N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11494297
N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11566992
(2-fluorophenyl)-N-[1-phenyl-4-(piperidylcarbonyl)pyrazol-5-yl]carboxamide
CID 1284329
5-(2-Fluoro-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid diethylamide
CID 1350803
2-bromo-N-(1-phenylpyrazol-3-yl)benzamide
CID 5071220
N-(1-(3-bromophenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11676072

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide (CID 1350738) is 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccccc1Br.
What is the InChIKey of 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is JELRMCNRDSVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4O2/c24-20-14-8-7-13-18(20)22(29)27-21-19(23(30)26-16-9-3-1-4-10-16)15-25-28(21)17-11-5-2-6-12-17/h1-15H,(H,26,30)(H,27,29).
What are the key properties of 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 461.32 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 1350738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).