4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide

C25H21ClN4O2 — CID 21369168

IUPAC4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClN4O2/c1-16-23(17(2)30(29-16)22-6-4-3-5-7-22)28-25(32)19-10-14-21(15-11-19)27-24(31)18-8-12-20(26)13-9-18/h3-15H,1-2H3,(H,27,31)(H,28,32)
InChIKeySMWPZRDHHXQBBL-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.65
Rot. Bonds5

About 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide

4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide (PubChem CID 21369168) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
PubChem CID21369168
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClN4O2/c1-16-23(17(2)30(29-16)22-6-4-3-5-7-22)28-25(32)19-10-14-21(15-11-19)27-24(31)18-8-12-20(26)13-9-18/h3-15H,1-2H3,(H,27,31)(H,28,32)
InChIKeySMWPZRDHHXQBBL-UHFFFAOYSA-N
XLogP5.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
CID 24510665
2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
CID 21369217
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 24628215
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 21369177
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575388

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide (CID 21369168) is 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide?
The InChIKey is SMWPZRDHHXQBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-16-23(17(2)30(29-16)22-6-4-3-5-7-22)28-25(32)19-10-14-21(15-11-19)27-24(31)18-8-12-20(26)13-9-18/h3-15H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide?
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide has a molecular weight of 444.92 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 21369168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).