1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

C12H18F3N3 — CID 114251922

IUPAC1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESCCn1ccc(NC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-2-18-8-7-11(17-18)16-10-6-4-3-5-9(10)12(13,14)15/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyINJHDTIMJZXARK-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.44
Rot. Bonds3

About 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (PubChem CID 114251922) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
PubChem CID114251922
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESCCn1ccc(NC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-2-18-8-7-11(17-18)16-10-6-4-3-5-9(10)12(13,14)15/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyINJHDTIMJZXARK-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine 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-(cyclohexylmethyl)-1H-pyrazol-5-amine
CID 4962298
5-Cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767315
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
N-(2-bicyclo[2.2.1]heptanyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 75483588
3-[3-[(2,4-Dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide
CID 75521112
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
1-(4,4-difluorocyclohexyl)-1H-pyrazol-5-amine
CID 84733810
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 138648672
N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 138648708
(3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 141444679

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (CID 114251922) is 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is CCn1ccc(NC2CCCCC2C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The InChIKey is INJHDTIMJZXARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-18-8-7-11(17-18)16-10-6-4-3-5-9(10)12(13,14)15/h7-10H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine has a molecular weight of 261.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is sourced from PubChem (CID 114251922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).