2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one

C10H9ClN2O — CID 736171

IUPAC2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-6,12H,1H3
InChIKeyOCGZNXKNMPUVEG-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.13
Rot. Bonds1

About 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one

2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 736171) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
PubChem CID736171
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-6,12H,1H3
InChIKeyOCGZNXKNMPUVEG-UHFFFAOYSA-N
XLogP2.13
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one (CID 736171) is 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is OCGZNXKNMPUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-6,12H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one?
2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 208.65 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 736171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).