2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol

C12H13ClN2O — CID 116817765

IUPAC2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2cccc(Cl)c2)cc1CCO
InChIInChI=1S/C12H13ClN2O/c1-9-10(5-6-16)8-15(14-9)12-4-2-3-11(13)7-12/h2-4,7-8,16H,5-6H2,1H3
InChIKeyRWGLVJAVPDMYDS-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.37
Rot. Bonds3

About 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol

2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol (PubChem CID 116817765) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
PubChem CID116817765
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2cccc(Cl)c2)cc1CCO
InChIInChI=1S/C12H13ClN2O/c1-9-10(5-6-16)8-15(14-9)12-4-2-3-11(13)7-12/h2-4,7-8,16H,5-6H2,1H3
InChIKeyRWGLVJAVPDMYDS-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-chlorophenyl)-3-methylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol (CID 116817765) is 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol is Cc1nn(-c2cccc(Cl)c2)cc1CCO.
What is the InChIKey of 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol?
The InChIKey is RWGLVJAVPDMYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9-10(5-6-16)8-15(14-9)12-4-2-3-11(13)7-12/h2-4,7-8,16H,5-6H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol?
2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol has a molecular weight of 236.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol is sourced from PubChem (CID 116817765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).