2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

C11H15F3N2O — CID 121213246

IUPAC2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1c(C(F)(F)F)n[nH]c1C1CCCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-8(5-6-17)9(15-16-10)7-3-1-2-4-7/h7,17H,1-6H2,(H,15,16)
InChIKeyPSTIXPQLCGHUST-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.62
Rot. Bonds3

About 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 121213246) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID121213246
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1c(C(F)(F)F)n[nH]c1C1CCCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-8(5-6-17)9(15-16-10)7-3-1-2-4-7/h7,17H,1-6H2,(H,15,16)
InChIKeyPSTIXPQLCGHUST-UHFFFAOYSA-N
XLogP2.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 121213246) is 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is OCCc1c(C(F)(F)F)n[nH]c1C1CCCC1.
What is the InChIKey of 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is PSTIXPQLCGHUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10-8(5-6-17)9(15-16-10)7-3-1-2-4-7/h7,17H,1-6H2,(H,15,16).
What are the key properties of 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 248.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 121213246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).