N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C24H19ClN4O2 — CID 3953306

IUPACN-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C24H19ClN4O2/c1-16-10-12-17(13-11-16)23(30)28-22-21(15-26-29(22)20-8-3-2-4-9-20)24(31)27-19-7-5-6-18(25)14-19/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyDXHUZSKJBHPOGT-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.34
Rot. Bonds5

About N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 3953306) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID3953306
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC NameN-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C24H19ClN4O2/c1-16-10-12-17(13-11-16)23(30)28-22-21(15-26-29(22)20-8-3-2-4-9-20)24(31)27-19-7-5-6-18(25)14-19/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyDXHUZSKJBHPOGT-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 3953306) is N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide is Cc1ccc(C(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2-c2ccccc2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DXHUZSKJBHPOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-16-10-12-17(13-11-16)23(30)28-22-21(15-26-29(22)20-8-3-2-4-9-20)24(31)27-19-7-5-6-18(25)14-19/h2-15H,1H3,(H,27,31)(H,28,30).
What are the key properties of N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-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 N-(3-chlorophenyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3953306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).