1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C20H21F4N3O — CID 42941518

IUPAC1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C20H21F4N3O/c21-12-8-10-13(11-9-12)27-17-7-3-4-14(17)18(26-27)19(28)25-16-6-2-1-5-15(16)20(22,23)24/h8-11,15-16H,1-7H2,(H,25,28)
InChIKeyQVIAIGPTBZATEO-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.35
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 42941518) has the molecular formula C20H21F4N3O and a molecular weight of 395.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID42941518
Molecular FormulaC20H21F4N3O
Molecular Weight395.40 g/mol
Exact Mass395.16
IUPAC Name1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C20H21F4N3O/c21-12-8-10-13(11-9-12)27-17-7-3-4-14(17)18(26-27)19(28)25-16-6-2-1-5-15(16)20(22,23)24/h8-11,15-16H,1-7H2,(H,25,28)
InChIKeyQVIAIGPTBZATEO-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]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

N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 91641532
1-(3,4-difluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126781032
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 51314027
N-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134036515
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
1-(4-fluorophenyl)-N-pentan-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17499040
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24595456
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 42941518) is 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is QVIAIGPTBZATEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N3O/c21-12-8-10-13(11-9-12)27-17-7-3-4-14(17)18(26-27)19(28)25-16-6-2-1-5-15(16)20(22,23)24/h8-11,15-16H,1-7H2,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 42941518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).