2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one

C12H12Cl2N2O2 — CID 1472949

IUPAC2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CCO
InChIInChI=1S/C12H12Cl2N2O2/c1-7-9(4-5-17)12(18)16(15-7)8-2-3-10(13)11(14)6-8/h2-3,6,15,17H,4-5H2,1H3
InChIKeyAUTRCYVPINGXNU-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.32
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one

2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 1472949) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
PubChem CID1472949
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CCO
InChIInChI=1S/C12H12Cl2N2O2/c1-7-9(4-5-17)12(18)16(15-7)8-2-3-10(13)11(14)6-8/h2-3,6,15,17H,4-5H2,1H3
InChIKeyAUTRCYVPINGXNU-UHFFFAOYSA-N
XLogP2.32
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one 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-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (CID 1472949) is 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CCO.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is AUTRCYVPINGXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-7-9(4-5-17)12(18)16(15-7)8-2-3-10(13)11(14)6-8/h2-3,6,15,17H,4-5H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 287.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 1472949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).