1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole

C12H17F3N2 — CID 91197270

IUPAC1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CCCC2CCCC2)n1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)11-7-9-17(16-11)8-3-6-10-4-1-2-5-10/h7,9-10H,1-6,8H2
InChIKeySAPSSFHWDMLLRR-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole

1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole (PubChem CID 91197270) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole
PubChem CID91197270
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CCCC2CCCC2)n1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)11-7-9-17(16-11)8-3-6-10-4-1-2-5-10/h7,9-10H,1-6,8H2
InChIKeySAPSSFHWDMLLRR-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole 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-Cyclopentyl-3-(trifluoromethyl)pyrazole
CID 66016918
1-cyclopentyl-5-(trifluoromethyl)-1H-pyrazole
CID 155943580
1-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]cyclobutane-1-carbonitrile
CID 132299885
1-Propyl-3-(trifluoromethyl)pyrazole
CID 18769395
1-tert-butyl-3-(trifluoromethyl)-1H-pyrazole
CID 23395987
3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 25248681
1-Cyclohexyl-3-(trifluoromethyl)pyrazole
CID 57780455
1-(2,2-Difluoroethyl)-3-propan-2-ylpyrazole
CID 58029751
1-Isobutyl-3-trifluoromethyl-1H-pyrazole
CID 58981713
1-(2,2-Dimethylpropyl)-3-(trifluoromethyl)pyrazole
CID 59026320
1-(3,3-Dimethylbutyl)-3-(trifluoromethyl)pyrazole
CID 59407452
1-(4,4-Dimethylpentyl)-3-(trifluoromethyl)pyrazole
CID 59407463

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole (CID 91197270) is 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CCCC2CCCC2)n1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is SAPSSFHWDMLLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c13-12(14,15)11-7-9-17(16-11)8-3-6-10-4-1-2-5-10/h7,9-10H,1-6,8H2.
What are the key properties of 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole?
1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 91197270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).