1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol

C13H17F3N2O — CID 166528791

IUPAC1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol
SMILESC=C(O)c1c(C(F)(F)F)cnn1CC1CCCCC1
InChIInChI=1S/C13H17F3N2O/c1-9(19)12-11(13(14,15)16)7-17-18(12)8-10-5-3-2-4-6-10/h7,10,19H,1-6,8H2
InChIKeyMLLUPXYHVSWLEJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP4.01
Rot. Bonds3

About 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol

1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol (PubChem CID 166528791) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol
PubChem CID166528791
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol
SMILESC=C(O)c1c(C(F)(F)F)cnn1CC1CCCCC1
InChIInChI=1S/C13H17F3N2O/c1-9(19)12-11(13(14,15)16)7-17-18(12)8-10-5-3-2-4-6-10/h7,10,19H,1-6,8H2
InChIKeyMLLUPXYHVSWLEJ-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
1-(Cyclohexylmethyl)-4-hydroxymethyl-3-(trifluoromethyl)-1H-pyrazole
CID 58020861
1-(1,4-Dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 112742255
1-(1-Cyclohexyl-5-methylpyrazol-4-yl)ethenol
CID 146670934

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol?
The IUPAC name of 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol (CID 166528791) is 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol is C=C(O)c1c(C(F)(F)F)cnn1CC1CCCCC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol?
The InChIKey is MLLUPXYHVSWLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(19)12-11(13(14,15)16)7-17-18(12)8-10-5-3-2-4-6-10/h7,10,19H,1-6,8H2.
What are the key properties of 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol?
1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol has a molecular weight of 274.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol is sourced from PubChem (CID 166528791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).