N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C20H21F6N3O3S — CID 88932704

IUPACN-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCC1(NC(=O)c2ccnn2CC(F)(F)F)CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F6N3O3S/c1-18(28-17(30)16-7-10-27-29(16)12-19(21,22)23)8-5-14(6-9-18)33(31,32)15-4-2-3-13(11-15)20(24,25)26/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,28,30)
InChIKeyBIJKGIKRQNKNPB-UHFFFAOYSA-N
MW497.46 g/mol
LogP4.37
Rot. Bonds5

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

N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 88932704) has the molecular formula C20H21F6N3O3S and a molecular weight of 497.46 g/mol. Its IUPAC name is N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID88932704
Molecular FormulaC20H21F6N3O3S
Molecular Weight497.46 g/mol
Exact Mass497.12
IUPAC NameN-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCC1(NC(=O)c2ccnn2CC(F)(F)F)CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F6N3O3S/c1-18(28-17(30)16-7-10-27-29(16)12-19(21,22)23)8-5-14(6-9-18)33(31,32)15-4-2-3-13(11-15)20(24,25)26/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,28,30)
InChIKeyBIJKGIKRQNKNPB-UHFFFAOYSA-N
XLogP4.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-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

2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]pyrazole-3-carboxamide
CID 140596113
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
3-tert-butylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]thiophene-2-carboxamide
CID 51041138
5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide
CID 88932939
4-chloro-2-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]benzamide
CID 51041139
6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 88933082
4,4-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]pentan-2-one
CID 160564942
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88932695
4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90592055

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 88932704) is N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CC1(NC(=O)c2ccnn2CC(F)(F)F)CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is BIJKGIKRQNKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N3O3S/c1-18(28-17(30)16-7-10-27-29(16)12-19(21,22)23)8-5-14(6-9-18)33(31,32)15-4-2-3-13(11-15)20(24,25)26/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,28,30).
What are the key properties of N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 88932704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).