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

C10H13F3N2O — CID 58020670

IUPAC[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cn(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-7(6-16)5-15(14-9)8-3-1-2-4-8/h5,8,16H,1-4,6H2
InChIKeyWBKZZPORLJJCDQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.51
Rot. Bonds2

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

[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 58020670) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID58020670
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cn(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-7(6-16)5-15(14-9)8-3-1-2-4-8/h5,8,16H,1-4,6H2
InChIKeyWBKZZPORLJJCDQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 58020670) is [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cn(C2CCCC2)nc1C(F)(F)F.
What is the InChIKey of [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is WBKZZPORLJJCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)9-7(6-16)5-15(14-9)8-3-1-2-4-8/h5,8,16H,1-4,6H2.
What are the key properties of [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 234.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 58020670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).