[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol

C10H14F3N3O — CID 71033644

IUPAC[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cn(C2CCNCC2)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-7(6-17)5-16(15-9)8-1-3-14-4-2-8/h5,8,14,17H,1-4,6H2
InChIKeyUQKNNPQDVDDFML-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.32
Rot. Bonds2

About [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 71033644) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID71033644
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cn(C2CCNCC2)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-7(6-17)5-16(15-9)8-1-3-14-4-2-8/h5,8,14,17H,1-4,6H2
InChIKeyUQKNNPQDVDDFML-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 71033644) is [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cn(C2CCNCC2)nc1C(F)(F)F.
What is the InChIKey of [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is UQKNNPQDVDDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)9-7(6-17)5-16(15-9)8-1-3-14-4-2-8/h5,8,14,17H,1-4,6H2.
What are the key properties of [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 249.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 71033644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).