Basic information
- CAS
128317-43-1- Standard SMILES
Cc1cccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1- InChIKey
HXKXQJIVPXCRNP-UHFFFAOYSA-N- Molecular formula
- C19H19N3O
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.15281224
Names & identifiers
- Preferred name
- 1,5-Dimethyl-4-((3-methyl-benzylidene)-amino)-2-phenyl-1,2-dihydro-pyrazol-3-one
- IUPAC
- 1,5-dimethyl-4-[(3-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
- English name
- 1,5-Dimethyl-4-((3-methyl-benzylidene)-amino)-2-phenyl-1,2-dihydro-pyrazol-3-one
- Molecular formula
- C19H19N3O
- Molecular weight
- 305.37
Names & synonyms
TimTec1_000765Oprea1_720384HMS1536C17AKOS024275001NCGC00175142-01ST009617BRD-K92742206-001-01-11,5-DIMETHYL-4-((3-METHYL-BENZYLIDENE)-AMINO)-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE4-[(1E)-2-(3-methylphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[[(3-methylphenyl)methylene]amino]-2-phenyl-
Database identifiers
- CAS
128317-43-1- PubChem CID
- 690797
- EC Number
- 141-539-2
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
- 441.241 · 441.241±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.115 · 1.115±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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