4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide

C30H22N4O3 — CID 9498377

IUPAC4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide
SMILESO=C(NC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C30H22N4O3/c35-28(22-15-7-2-8-16-22)25-26(29(36)32-30(37)31-23-17-9-3-10-18-23)33-34(24-19-11-4-12-20-24)27(25)21-13-5-1-6-14-21/h1-20H,(H2,31,32,36,37)
InChIKeyJXTUKYUGWKXINS-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.73
Rot. Bonds6

About 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide

4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide (PubChem CID 9498377) has the molecular formula C30H22N4O3 and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide
PubChem CID9498377
Molecular FormulaC30H22N4O3
Molecular Weight486.53 g/mol
Exact Mass486.17
IUPAC Name4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide
SMILESO=C(NC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C30H22N4O3/c35-28(22-15-7-2-8-16-22)25-26(29(36)32-30(37)31-23-17-9-3-10-18-23)33-34(24-19-11-4-12-20-24)27(25)21-13-5-1-6-14-21/h1-20H,(H2,31,32,36,37)
InChIKeyJXTUKYUGWKXINS-UHFFFAOYSA-N
XLogP5.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide
CID 45268760
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
CID 59163086
4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
CID 3627793
4-benzoyl-1-[4-[2-(2,4-dioxopentan-3-ylidene)hydrazinyl]phenyl]-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
CID 52914669
N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide
CID 5302319
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
4-benzoyl-1-[4-[(2E)-2-(1,3-dioxo-1-phenylbutan-2-ylidene)hydrazinyl]phenyl]-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
CID 129010796
4-benzoyl-1-[3-[2-(2,4-dioxopentan-3-ylidene)hydrazinyl]phenyl]-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
CID 91935366
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
4-benzoyl-1-[3-[(4-hydroxyphenyl)diazenyl]phenyl]-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
CID 135878387
4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
CID 24939286

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide?
The IUPAC name of 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide (CID 9498377) is 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide is O=C(NC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide?
The InChIKey is JXTUKYUGWKXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O3/c35-28(22-15-7-2-8-16-22)25-26(29(36)32-30(37)31-23-17-9-3-10-18-23)33-34(24-19-11-4-12-20-24)27(25)21-13-5-1-6-14-21/h1-20H,(H2,31,32,36,37).
What are the key properties of 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide?
4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide is sourced from PubChem (CID 9498377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).