5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

C24H20N4O2 — CID 3109206

IUPAC5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H20N4O2/c1-17-9-8-12-19(15-17)26-24(30)21-16-25-28(20-13-6-3-7-14-20)22(21)27-23(29)18-10-4-2-5-11-18/h2-16H,1H3,(H,26,30)(H,27,29)
InChIKeyXWCTUBNZJRPZHP-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.69
Rot. Bonds5

About 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 3109206) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID3109206
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H20N4O2/c1-17-9-8-12-19(15-17)26-24(30)21-16-25-28(20-13-6-3-7-14-20)22(21)27-23(29)18-10-4-2-5-11-18/h2-16H,1H3,(H,26,30)(H,27,29)
InChIKeyXWCTUBNZJRPZHP-UHFFFAOYSA-N
XLogP4.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909781
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46549850
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60614952
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
CID 146120934

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 3109206) is 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)c1.
What is the InChIKey of 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is XWCTUBNZJRPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-17-9-8-12-19(15-17)26-24(30)21-16-25-28(20-13-6-3-7-14-20)22(21)27-23(29)18-10-4-2-5-11-18/h2-16H,1H3,(H,26,30)(H,27,29).
What are the key properties of 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3109206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).