1,5-Dimethyl-4-((2-methyl-benzylidene)-amino)-2-phenyl-1,2-dihydro-pyrazol-3-one
Basic information
- CAS
128317-42-0- Standard SMILES
Cc1ccccc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
HUEWPNMMDOPSAR-UHFFFAOYSA-N- Molecular formula
- C19H19N3O
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.15281224
Names & identifiers
- Preferred name
- 1,5-Dimethyl-4-((2-methyl-benzylidene)-amino)-2-phenyl-1,2-dihydro-pyrazol-3-one
- IUPAC
- 1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
- English name
- 1,5-Dimethyl-4-((2-methyl-benzylidene)-amino)-2-phenyl-1,2-dihydro-pyrazol-3-one
- Molecular formula
- C19H19N3O
- Molecular weight
- 305.37
Names & synonyms
Oprea1_700871AKOS0243435921,5-DIMETHYL-4-((2-METHYL-BENZYLIDENE)-AMINO)-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[[(2-methylphenyl)methylene]amino]-2-phenyl-
Database identifiers
- CAS
128317-42-0- PubChem CID
- 4064247
- EC Number
- 141-538-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Boiling point
- 437.305 · 437.305±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.115 · 1.115±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.548 · 8.548±0.20(predicted)
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Compound notes
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