2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol

C13H14ClFN2O — CID 112653181

IUPAC2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H14ClFN2O/c1-8-10(7-17(2)16-8)12(18)6-9-4-3-5-11(15)13(9)14/h3-5,7,12,18H,6H2,1-2H3
InChIKeyZLZHOZGHKRMPHJ-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 112653181) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID112653181
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H14ClFN2O/c1-8-10(7-17(2)16-8)12(18)6-9-4-3-5-11(15)13(9)14/h3-5,7,12,18H,6H2,1-2H3
InChIKeyZLZHOZGHKRMPHJ-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-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

Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 103039152
2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 106866587
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
[2-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 102804856
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105124092
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653460
1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol (CID 112653181) is 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol is Cc1nn(C)cc1C(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is ZLZHOZGHKRMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8-10(7-17(2)16-8)12(18)6-9-4-3-5-11(15)13(9)14/h3-5,7,12,18H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 268.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 112653181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).