1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol

C12H10ClF3N2O — CID 109411694

IUPAC1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1ccc(C(F)(F)F)n1)c1cccc(Cl)c1
InChIInChI=1S/C12H10ClF3N2O/c13-9-3-1-2-8(6-9)10(19)7-18-5-4-11(17-18)12(14,15)16/h1-6,10,19H,7H2
InChIKeyJJEYDBSMXNJFIZ-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol

1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 109411694) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID109411694
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOC(Cn1ccc(C(F)(F)F)n1)c1cccc(Cl)c1
InChIInChI=1S/C12H10ClF3N2O/c13-9-3-1-2-8(6-9)10(19)7-18-5-4-11(17-18)12(14,15)16/h1-6,10,19H,7H2
InChIKeyJJEYDBSMXNJFIZ-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 109411694) is 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is OC(Cn1ccc(C(F)(F)F)n1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is JJEYDBSMXNJFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c13-9-3-1-2-8(6-9)10(19)7-18-5-4-11(17-18)12(14,15)16/h1-6,10,19H,7H2.
What are the key properties of 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 290.67 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 109411694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).