3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C12H17F3N2O — CID 75505874

IUPAC3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-9(4-3-7-18)8-17(16-11)10-5-1-2-6-10/h8,10,18H,1-7H2
InChIKeyHBWAIRGOBZNOJA-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.94
Rot. Bonds4

About 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 75505874) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID75505874
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-9(4-3-7-18)8-17(16-11)10-5-1-2-6-10/h8,10,18H,1-7H2
InChIKeyHBWAIRGOBZNOJA-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 75505874) is 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is OCCCc1cn(C2CCCC2)nc1C(F)(F)F.
What is the InChIKey of 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is HBWAIRGOBZNOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)11-9(4-3-7-18)8-17(16-11)10-5-1-2-6-10/h8,10,18H,1-7H2.
What are the key properties of 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 75505874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).