5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

C24H19ClN4O2 — CID 3109213

IUPAC5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C24H19ClN4O2/c1-16-8-7-9-17(14-16)27-24(31)20-15-26-29(18-10-3-2-4-11-18)22(20)28-23(30)19-12-5-6-13-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyUSYPBRFOVBCQJD-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.34
Rot. Bonds5

About 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 3109213) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID3109213
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C24H19ClN4O2/c1-16-8-7-9-17(14-16)27-24(31)20-15-26-29(18-10-3-2-4-11-18)22(20)28-23(30)19-12-5-6-13-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyUSYPBRFOVBCQJD-UHFFFAOYSA-N
XLogP5.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909781
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
CID 1067719
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 3109213) is 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is USYPBRFOVBCQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-16-8-7-9-17(14-16)27-24(31)20-15-26-29(18-10-3-2-4-11-18)22(20)28-23(30)19-12-5-6-13-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 430.90 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3109213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).