1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C19H22F3N3O — CID 150946282

IUPAC1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCCC(c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O/c1-12-6-5-7-13(10-12)14-8-3-4-9-16(14)23-18(26)15-11-25(2)24-17(15)19(20,21)22/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,23,26)
InChIKeyLJCVEYPTABPKMH-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.98
Rot. Bonds3

About 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 150946282) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID150946282
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCCC(c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O/c1-12-6-5-7-13(10-12)14-8-3-4-9-16(14)23-18(26)15-11-25(2)24-17(15)19(20,21)22/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,23,26)
InChIKeyLJCVEYPTABPKMH-UHFFFAOYSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-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 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 150946282) is 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is CC1CCCC(c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)C1.
What is the InChIKey of 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LJCVEYPTABPKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-12-6-5-7-13(10-12)14-8-3-4-9-16(14)23-18(26)15-11-25(2)24-17(15)19(20,21)22/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,23,26).
What are the key properties of 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 150946282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).