Basic information
- Standard SMILES
Cc1ccc(-n2nccc2-c2nn(-c3cccc(S(C)(=O)=O)c3)ccc2=O)cc1- InChIKey
JAXCULMYEOMYAI-UHFFFAOYSA-N- Molecular formula
- C21H18N4O3S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.10996162
Names & identifiers
- Preferred name
- 1-(3-Methanesulfonyl-phenyl)-3-(2-p-tolyl-2H-pyrazol-3-yl)-1H-pyridazin-4-one
- IUPAC
- 3-[2-(4-methylphenyl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one
Names & synonyms
SCHEMBL2506974JAXCULMYEOMYAI-UHFFFAOYSA-N1-(3-Methanesulfonyl-phenyl)-3-(2-p-tolyl-2H-pyrazol-3-yl)-1H-pyridazin-4-one
Database identifiers
- PubChem CID
- 46218951
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 780
Related reactions
1 records
Compound notes
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