2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one

C9H9ClN4O — CID 139639551

IUPAC2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cc(C)c(Cl)nn2)C(=O)C1
InChIInChI=1S/C9H9ClN4O/c1-5-3-7(11-12-9(5)10)14-8(15)4-6(2)13-14/h3H,4H2,1-2H3
InChIKeyQCJCUOAPZMIORW-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.55
Rot. Bonds1

About 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one

2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one (PubChem CID 139639551) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one
PubChem CID139639551
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cc(C)c(Cl)nn2)C(=O)C1
InChIInChI=1S/C9H9ClN4O/c1-5-3-7(11-12-9(5)10)14-8(15)4-6(2)13-14/h3H,4H2,1-2H3
InChIKeyQCJCUOAPZMIORW-UHFFFAOYSA-N
XLogP1.55
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-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-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one (CID 139639551) is 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2cc(C)c(Cl)nn2)C(=O)C1.
What is the InChIKey of 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is QCJCUOAPZMIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-5-3-7(11-12-9(5)10)14-8(15)4-6(2)13-14/h3H,4H2,1-2H3.
What are the key properties of 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one?
2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 224.65 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 139639551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).