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

C12H17F3N2O — CID 105098368

IUPAC(2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCn1nccc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)12(13,14)15/h6-9,11,18H,2-5H2,1H3
InChIKeyQGFSLIKEGBYAPH-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.82
Rot. Bonds2

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

(2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105098368) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105098368
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCn1nccc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)12(13,14)15/h6-9,11,18H,2-5H2,1H3
InChIKeyQGFSLIKEGBYAPH-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
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(1-methyl-1H-pyrazol-5-yl)(piperidin-4-yl)methanol
CID 80560254
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
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(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanol
CID 122155892
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
CID 102385474
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
2,2,2-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)ethan-1-ol
CID 58297055
(2-Fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 63961772

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105098368) is (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is Cn1nccc1C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is QGFSLIKEGBYAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-17-10(6-7-16-17)11(18)8-2-4-9(5-3-8)12(13,14)15/h6-9,11,18H,2-5H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 262.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105098368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).