trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

C12H15F3N2O — CID 164632416

IUPACtrans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-6-9(7-4-5-7)17(16-11)8-2-1-3-10(8)18/h6-8,10,18H,1-5H2/t8-,10-/m0/s1
InChIKeyNNYLNKOKKWZPPN-WPRPVWTQSA-N
MW260.26 g/mol
LogP2.87
Rot. Bonds2

About trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 164632416) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID164632416
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Nametrans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-6-9(7-4-5-7)17(16-11)8-2-1-3-10(8)18/h6-8,10,18H,1-5H2/t8-,10-/m0/s1
InChIKeyNNYLNKOKKWZPPN-WPRPVWTQSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-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 trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 164632416) is trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is NNYLNKOKKWZPPN-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)11-6-9(7-4-5-7)17(16-11)8-2-1-3-10(8)18/h6-8,10,18H,1-5H2/t8-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 260.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 164632416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).