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

C13H19F3N2O — CID 105098224

IUPAC(2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1nccc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c1-2-18-11(7-8-17-18)12(19)9-3-5-10(6-4-9)13(14,15)16/h7-10,12,19H,2-6H2,1H3
InChIKeyRUJXLSMVHIYCMH-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.31
Rot. Bonds3

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

(2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105098224) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105098224
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name(2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1nccc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c1-2-18-11(7-8-17-18)12(19)9-3-5-10(6-4-9)13(14,15)16/h7-10,12,19H,2-6H2,1H3
InChIKeyRUJXLSMVHIYCMH-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

adamantan-1-yl(1-methyl-1H-pyrazol-5-yl)methanol
CID 63962636
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63962847
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(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
CID 126973841
(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-Fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 63961772
cyclohexyl{1-ethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}methanol
CID 66777663

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105098224) is (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is CCn1nccc1C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is RUJXLSMVHIYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-18-11(7-8-17-18)12(19)9-3-5-10(6-4-9)13(14,15)16/h7-10,12,19H,2-6H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 276.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105098224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).