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

C11H15F3N2O — CID 104753195

IUPAC1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-5-6-16(15-10)7-9(17)8-3-1-2-4-8/h5-6,8-9,17H,1-4,7H2
InChIKeyCROIJXMMYYUMEF-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.45
Rot. Bonds3

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

1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 104753195) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID104753195
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-5-6-16(15-10)7-9(17)8-3-1-2-4-8/h5-6,8-9,17H,1-4,7H2
InChIKeyCROIJXMMYYUMEF-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]cyclohexanol
CID 59556146
1-[3-(Trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631899
3,3-Dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol
CID 61771736
(2S)-3,3-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-2-butanol
CID 69513260
1-[Methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol
CID 118149676
4,4,4-Trifluoro-1-(5-methylpyrazol-1-yl)butan-2-ol
CID 155394750
4,4,4-Trifluoro-1-(3-methylpyrazol-1-yl)butan-2-ol
CID 156062663
4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169120459
2-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169757329
[4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 175860279
1-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 176122916

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 104753195) is 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is OC(Cn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is CROIJXMMYYUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10-5-6-16(15-10)7-9(17)8-3-1-2-4-8/h5-6,8-9,17H,1-4,7H2.
What are the key properties of 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 248.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 104753195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).