N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide

C11H14F3N3O — CID 61258478

IUPACN-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-3-1-2-4-9(8)17-10(18)7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18)
InChIKeyGUUJCUFEBALFSF-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.26
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide

N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 61258478) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID61258478
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-3-1-2-4-9(8)17-10(18)7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18)
InChIKeyGUUJCUFEBALFSF-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(trifluoromethyl)cyclohexyl]-1H-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

N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 79078834
5-amino-N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 123313367
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745
N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide
CID 141184157
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
1H-pyrazol-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071081
1H-pyrazol-4-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071083

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide (CID 61258478) is N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is GUUJCUFEBALFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-3-1-2-4-9(8)17-10(18)7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61258478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).