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

C12H17F3N2O — CID 113449231

IUPAC1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1ccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-6-7-17(16-11)8-10(18)9-4-2-1-3-5-9/h6-7,9-10,18H,1-5,8H2
InChIKeyYSNQSMRRGBINOX-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.84
Rot. Bonds3

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

1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 113449231) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID113449231
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1ccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-6-7-17(16-11)8-10(18)9-4-2-1-3-5-9/h6-7,9-10,18H,1-5,8H2
InChIKeyYSNQSMRRGBINOX-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]cyclohexanol
CID 59556146
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
(1S,2R)-5,5-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89962726
4,4-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963010
(1S*,2R*)-4,4-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89963011
5,5-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963152
3,3-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963530
(1S*,2R*)-3,3-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89963531
(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 122657903
(2R)-3,3-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 122657948
(2R)-4,4-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 122657998

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 113449231) is 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is OC(Cn1ccc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is YSNQSMRRGBINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)11-6-7-17(16-11)8-10(18)9-4-2-1-3-5-9/h6-7,9-10,18H,1-5,8H2.
What are the key properties of 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 262.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 113449231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).