N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide

C31H27N3O — CID 42754685

IUPACN-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3)cc2C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C31H27N3O/c1-22-18-19-23(2)28(20-22)34-29(21-27(33-34)24-12-6-3-7-13-24)31(35)32-30(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,30H,1-2H3,(H,32,35)
InChIKeyRQVKIHURJVSWLF-UHFFFAOYSA-N
MW457.58 g/mol
LogP6.68
Rot. Bonds6

About N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide

N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide (PubChem CID 42754685) has the molecular formula C31H27N3O and a molecular weight of 457.58 g/mol. Its IUPAC name is N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
PubChem CID42754685
Molecular FormulaC31H27N3O
Molecular Weight457.58 g/mol
Exact Mass457.22
IUPAC NameN-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3)cc2C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C31H27N3O/c1-22-18-19-23(2)28(20-22)34-29(21-27(33-34)24-12-6-3-7-13-24)31(35)32-30(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,30H,1-2H3,(H,32,35)
InChIKeyRQVKIHURJVSWLF-UHFFFAOYSA-N
XLogP6.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370874
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 7265359
N-benzhydryl-1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4564917
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754707
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755258
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053304

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide (CID 42754685) is N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccccc3)cc2C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is RQVKIHURJVSWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O/c1-22-18-19-23(2)28(20-22)34-29(21-27(33-34)24-12-6-3-7-13-24)31(35)32-30(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,30H,1-2H3,(H,32,35).
What are the key properties of N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42754685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).