4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol

C11H11ClN2O — CID 137130386

IUPAC4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol
SMILESCc1cc(O)c(-c2ccnn2C)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-5-11(15)8(6-9(7)12)10-3-4-13-14(10)2/h3-6,15H,1-2H3
InChIKeyLJMIVNVHVWKHEF-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.75
Rot. Bonds1

About 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol

4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol (PubChem CID 137130386) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol
PubChem CID137130386
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol
SMILESCc1cc(O)c(-c2ccnn2C)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-5-11(15)8(6-9(7)12)10-3-4-13-14(10)2/h3-6,15H,1-2H3
InChIKeyLJMIVNVHVWKHEF-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol 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 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol?
The IUPAC name of 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol (CID 137130386) is 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol?
The canonical SMILES for 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol is Cc1cc(O)c(-c2ccnn2C)cc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol?
The InChIKey is LJMIVNVHVWKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-5-11(15)8(6-9(7)12)10-3-4-13-14(10)2/h3-6,15H,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol?
4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol has a molecular weight of 222.68 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol is sourced from PubChem (CID 137130386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).