N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide

C31H23N3O3 — CID 45268760

IUPACN-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C31H23N3O3/c1-21(35)22-17-19-25(20-18-22)32-31(37)28-27(30(36)24-13-7-3-8-14-24)29(23-11-5-2-6-12-23)34(33-28)26-15-9-4-10-16-26/h2-20H,1H3,(H,32,37)
InChIKeyFXWOQFVYHTUYJG-UHFFFAOYSA-N
MW485.54 g/mol
LogP6.23
Rot. Bonds7

About N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide

N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide (PubChem CID 45268760) has the molecular formula C31H23N3O3 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide
PubChem CID45268760
Molecular FormulaC31H23N3O3
Molecular Weight485.54 g/mol
Exact Mass485.17
IUPAC NameN-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C31H23N3O3/c1-21(35)22-17-19-25(20-18-22)32-31(37)28-27(30(36)24-13-7-3-8-14-24)29(23-11-5-2-6-12-23)34(33-28)26-15-9-4-10-16-26/h2-20H,1H3,(H,32,37)
InChIKeyFXWOQFVYHTUYJG-UHFFFAOYSA-N
XLogP6.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide
CID 9498377
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
CID 59163086
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
4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
CID 3627793
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
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
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
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
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide (CID 45268760) is N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide?
The InChIKey is FXWOQFVYHTUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O3/c1-21(35)22-17-19-25(20-18-22)32-31(37)28-27(30(36)24-13-7-3-8-14-24)29(23-11-5-2-6-12-23)34(33-28)26-15-9-4-10-16-26/h2-20H,1H3,(H,32,37).
What are the key properties of N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide?
N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 45268760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).