2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C11H15F3N2O — CID 75484875

IUPAC2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-8(5-6-17)7-16(15-10)9-3-1-2-4-9/h7,9,17H,1-6H2
InChIKeyUJWAIXFZDIDBHV-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.55
Rot. Bonds3

About 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 75484875) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID75484875
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-8(5-6-17)7-16(15-10)9-3-1-2-4-9/h7,9,17H,1-6H2
InChIKeyUJWAIXFZDIDBHV-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 75484875) is 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is OCCc1cn(C2CCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is UJWAIXFZDIDBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10-8(5-6-17)7-16(15-10)9-3-1-2-4-9/h7,9,17H,1-6H2.
What are the key properties of 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 248.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 75484875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).