3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol

C15H24F3N3O — CID 110009939

IUPAC3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H24F3N3O/c1-3-14(22,4-2)11-20-8-5-12(6-9-20)21-10-7-13(19-21)15(16,17)18/h7,10,12,22H,3-6,8-9,11H2,1-2H3
InChIKeyUVSMNOVKZIUJOO-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.09
Rot. Bonds5

About 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol

3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol (PubChem CID 110009939) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol
PubChem CID110009939
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H24F3N3O/c1-3-14(22,4-2)11-20-8-5-12(6-9-20)21-10-7-13(19-21)15(16,17)18/h7,10,12,22H,3-6,8-9,11H2,1-2H3
InChIKeyUVSMNOVKZIUJOO-UHFFFAOYSA-N
XLogP3.09
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-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-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol (CID 110009939) is 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol?
The InChIKey is UVSMNOVKZIUJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-3-14(22,4-2)11-20-8-5-12(6-9-20)21-10-7-13(19-21)15(16,17)18/h7,10,12,22H,3-6,8-9,11H2,1-2H3.
What are the key properties of 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol?
3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol has a molecular weight of 319.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 110009939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).