N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H21Cl2F3N4O2 — CID 11692188

IUPACN-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NC(C)C2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C24H21Cl2F3N4O2/c1-12-9-15(25)10-16(22(34)30-13(2)14-7-8-14)21(12)31-23(35)19-11-20(24(27,28)29)32-33(19)18-6-4-3-5-17(18)26/h3-6,9-11,13-14H,7-8H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyHPRIOSIGXHVHMH-UHFFFAOYSA-N
MW525.36 g/mol
LogP6.29
Rot. Bonds6

About N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 11692188) has the molecular formula C24H21Cl2F3N4O2 and a molecular weight of 525.36 g/mol. Its IUPAC name is N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID11692188
Molecular FormulaC24H21Cl2F3N4O2
Molecular Weight525.36 g/mol
Exact Mass524.10
IUPAC NameN-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NC(C)C2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C24H21Cl2F3N4O2/c1-12-9-15(25)10-16(22(34)30-13(2)14-7-8-14)21(12)31-23(35)19-11-20(24(27,28)29)32-33(19)18-6-4-3-5-17(18)26/h3-6,9-11,13-14H,7-8H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyHPRIOSIGXHVHMH-UHFFFAOYSA-N
XLogP6.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.36
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 11692188) is N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(=O)NC(C)C2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is HPRIOSIGXHVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F3N4O2/c1-12-9-15(25)10-16(22(34)30-13(2)14-7-8-14)21(12)31-23(35)19-11-20(24(27,28)29)32-33(19)18-6-4-3-5-17(18)26/h3-6,9-11,13-14H,7-8H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 525.36 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 11692188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).