4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

C13H19F3N2O — CID 134331554

IUPAC4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(O)CC1
InChIInChI=1S/C13H19F3N2O/c1-8(2)11-7-12(13(14,15)16)17-18(11)9-3-5-10(19)6-4-9/h7-10,19H,3-6H2,1-2H3
InChIKeyINKKDYXMTDDESX-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.50
Rot. Bonds2

About 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 134331554) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID134331554
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(O)CC1
InChIInChI=1S/C13H19F3N2O/c1-8(2)11-7-12(13(14,15)16)17-18(11)9-3-5-10(19)6-4-9/h7-10,19H,3-6H2,1-2H3
InChIKeyINKKDYXMTDDESX-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propan-1-ol
CID 75175982
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 90300070
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 121211723
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 122633452
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 122633606
[6-(3-Ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
CID 123815409
4-[5-[3-Methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 123893266
1-[2-(Oxan-4-yl)ethyl]-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331560
4-[5-Ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 134331572
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 134331573

Frequently Asked Questions

What is the IUPAC name of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 134331554) is 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is CC(C)c1cc(C(F)(F)F)nn1C1CCC(O)CC1.
What is the InChIKey of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is INKKDYXMTDDESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8(2)11-7-12(13(14,15)16)17-18(11)9-3-5-10(19)6-4-9/h7-10,19H,3-6H2,1-2H3.
What are the key properties of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 134331554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).