2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one

C14H12N4O — CID 66022335

IUPAC2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)nn1
InChIInChI=1S/C14H12N4O/c1-10-7-8-13(16-15-10)18-14(19)9-12(17-18)11-5-3-2-4-6-11/h2-9,17H,1H3
InChIKeyIPRPNWAVUZAIBG-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds2

About 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one

2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 66022335) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one
PubChem CID66022335
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)nn1
InChIInChI=1S/C14H12N4O/c1-10-7-8-13(16-15-10)18-14(19)9-12(17-18)11-5-3-2-4-6-11/h2-9,17H,1H3
InChIKeyIPRPNWAVUZAIBG-UHFFFAOYSA-N
XLogP1.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methylpyridazin-3-yl)-5-phenyl-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

Related Compounds

5-methyl-2-(6-methylpyridazin-3-yl)-1H-pyrazol-3-one
CID 66021714
2-[1-[2,3-dimethyl-3-[3-(3-oxo-5-phenyl-1H-pyrazol-2-yl)pyrazol-1-yl]butan-2-yl]pyrazol-3-yl]-5-phenyl-1H-pyrazol-3-one
CID 58704779
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506
2-(6-chloropyrimidin-4-yl)-5-phenyl-1H-pyrazol-3-one
CID 139330462
2-[4-methoxy-6-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 53386410
5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036276
4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
CID 135439812
2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one
CID 107958349
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
5-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-phenyl-1H-pyrazol-3-one
CID 57221591
methyl 4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzoate
CID 19578500
5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51038398

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one (CID 66022335) is 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one is Cc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)nn1.
What is the InChIKey of 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is IPRPNWAVUZAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-7-8-13(16-15-10)18-14(19)9-12(17-18)11-5-3-2-4-6-11/h2-9,17H,1H3.
What are the key properties of 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one?
2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 252.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridazin-3-yl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 66022335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).