1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H19ClF3N3O — CID 11474632

IUPAC1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C18H19ClF3N3O/c1-24(13-5-3-2-4-6-13)17(26)15-11-23-25(16(15)18(20,21)22)14-9-7-12(19)8-10-14/h7-11,13H,2-6H2,1H3
InChIKeyTXOIGTCLNINOIR-UHFFFAOYSA-N
MW385.82 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 11474632) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID11474632
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC Name1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C18H19ClF3N3O/c1-24(13-5-3-2-4-6-13)17(26)15-11-23-25(16(15)18(20,21)22)14-9-7-12(19)8-10-14/h7-11,13H,2-6H2,1H3
InChIKeyTXOIGTCLNINOIR-UHFFFAOYSA-N
XLogP4.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(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

Related Compounds

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 21105026
4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid
CID 25005941
1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90825124
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42924981
1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 87445871
1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55878361
1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42817677
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250293
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 46536673
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55675778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 11474632) is 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is TXOIGTCLNINOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c1-24(13-5-3-2-4-6-13)17(26)15-11-23-25(16(15)18(20,21)22)14-9-7-12(19)8-10-14/h7-11,13H,2-6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 385.82 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 11474632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).