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

C24H19ClN4O3 — CID 1067677

IUPAC5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H19ClN4O3/c1-32-21-14-8-7-13-20(21)27-24(31)18-15-26-29(16-9-3-2-4-10-16)22(18)28-23(30)17-11-5-6-12-19(17)25/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyYDDKBXRHZVIVIM-UHFFFAOYSA-N
MW446.89 g/mol
LogP5.04
Rot. Bonds6

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

5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1067677) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1067677
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H19ClN4O3/c1-32-21-14-8-7-13-20(21)27-24(31)18-15-26-29(16-9-3-2-4-10-16)22(18)28-23(30)17-11-5-6-12-19(17)25/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyYDDKBXRHZVIVIM-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

4-benzoyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 11580175
N-(5-chloro-2-methoxyphenyl)-2-ethyl-11-[(4-methoxyphenyl)methyl]-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 16029676
2-chloro-N-{1-[1-(2-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24817384
7-(4-Ethylphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410430
7-(3-Chlorophenyl)-N6-(4-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410432
2-[[1-(2-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-N-(2-methoxyphenyl)propanamide
CID 136217463
5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 22330246
7-(2-Chlorophenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(3-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410423
N6-(2-Methoxyphenyl)-5-methyl-7-(2-methylphenyl)-N3-(3-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410424
7-(4-Chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135410436
N-(4-Chlorophenyl)-5-(3-methoxyphenyl)-7-phenyl-4H,7H-pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 135548712
N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1258367

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1067677) is 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is YDDKBXRHZVIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-32-21-14-8-7-13-20(21)27-24(31)18-15-26-29(16-9-3-2-4-10-16)22(18)28-23(30)17-11-5-6-12-19(17)25/h2-15H,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-[(2-chlorobenzoyl)amino]-N-(2-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-[(2-chlorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1067677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).