1,5-dimethyl-4-{[(3-methyl-2-thienyl)methylene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Basic information
- CAS
329935-92-4- Standard SMILES
Cc1ccsc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
AIXWIJFUIZOXMI-UHFFFAOYSA-N- Molecular formula
- C17H17N3OS
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.10923335
Names & identifiers
- Preferred name
- 1,5-dimethyl-4-{[(3-methyl-2-thienyl)methylene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 1,5-dimethyl-4-[(3-methylthiophen-2-yl)methylideneamino]-2-phenylpyrazol-3-one
Names & synonyms
1,5-dimethyl-4-{[(3-methyl-2-thienyl)methylene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one5531-59-9MLS000061010CHEMBL3207691HMS2441E22AKOS024275149SMR000069775ST010301AE-848/112441471,5-DIMETHYL-4-((3-ME-THIOPHEN-2-YLMETHYLENE)-AMINO)-2-PH-1,2-2H-PYRAZOL-3-ONE4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin- 5-one
Database identifiers
- CAS
329935-92-4- PubChem CID
- 710113
- ChEMBL
CHEMBL3207691- EC Number
- 141-465-0
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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