5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H19ClN4O3 — CID 2898102

IUPAC5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN4O3/c1-32-20-13-11-18(12-14-20)27-24(31)21-15-26-29(19-5-3-2-4-6-19)22(21)28-23(30)16-7-9-17(25)10-8-16/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyCZZXLGDQIUZLGB-UHFFFAOYSA-N
MW446.89 g/mol
LogP5.04
Rot. Bonds6

About 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2898102) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2898102
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN4O3/c1-32-20-13-11-18(12-14-20)27-24(31)21-15-26-29(19-5-3-2-4-6-19)22(21)28-23(30)16-7-9-17(25)10-8-16/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyCZZXLGDQIUZLGB-UHFFFAOYSA-N
XLogP5.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.89
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
CID 24828386
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 2898102) is 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is CZZXLGDQIUZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-32-20-13-11-18(12-14-20)27-24(31)21-15-26-29(19-5-3-2-4-6-19)22(21)28-23(30)16-7-9-17(25)10-8-16/h2-15H,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 446.89 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2898102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).