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

C12H17F3N2O — CID 103160367

IUPAC1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CC1CCCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-5-6-17(16-11)8-10(18)7-9-3-1-2-4-9/h5-6,9-10,18H,1-4,7-8H2
InChIKeyLBKGEZIWXAWGGZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.84
Rot. Bonds4

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

1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 103160367) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID103160367
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CC1CCCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)11-5-6-17(16-11)8-10(18)7-9-3-1-2-4-9/h5-6,9-10,18H,1-4,7-8H2
InChIKeyLBKGEZIWXAWGGZ-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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
4,4-Difluoro-2-(2-methylpyrazol-3-yl)cyclopentan-1-ol
CID 89962693
(1S*,2R*)-4,4-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclopentanol
CID 89962695
1-(3-Cyclopentylpropyl)-3-(trifluoromethyl)pyrazole
CID 91197270
(2R)-4,4-difluoro-2-(2-methylpyrazol-3-yl)cyclopentan-1-ol
CID 122657934
2-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169757329
[4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 175860279
(2R)-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 176717201
2-Methyl-7-(3-methylpyrazol-1-yl)octan-3-ol
CID 162418692
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]cyclopentan-1-ol
CID 61631898

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 103160367) is 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is OC(CC1CCCC1)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is LBKGEZIWXAWGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)11-5-6-17(16-11)8-10(18)7-9-3-1-2-4-9/h5-6,9-10,18H,1-4,7-8H2.
What are the key properties of 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 262.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 103160367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).