2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

C13H19F3N2O — CID 105082718

IUPAC2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1cc(CC(O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H19F3N2O/c1-18-8-9(7-17-18)5-12(19)10-3-2-4-11(6-10)13(14,15)16/h7-8,10-12,19H,2-6H2,1H3
InChIKeyAZGFVDFFKJXRIV-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.69
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105082718) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105082718
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1cc(CC(O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H19F3N2O/c1-18-8-9(7-17-18)5-12(19)10-3-2-4-11(6-10)13(14,15)16/h7-8,10-12,19H,2-6H2,1H3
InChIKeyAZGFVDFFKJXRIV-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399
(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105129742
2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105122947
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780530

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (CID 105082718) is 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is Cn1cc(CC(O)C2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is AZGFVDFFKJXRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-18-8-9(7-17-18)5-12(19)10-3-2-4-11(6-10)13(14,15)16/h7-8,10-12,19H,2-6H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 276.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105082718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).