Basic information
- CAS
382164-78-5- Standard SMILES
Cc1ccc(C(=O)Oc2ccc(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1- InChIKey
SSKDFTSETSERSD-UHFFFAOYSA-N- Molecular formula
- C26H23N3O3
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- [4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzoate
- IUPAC
- [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzoate
- English name
- 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-methylbenzoate
- Molecular formula
- C26H23N3O3
- Molecular weight
- 425.48
Names & synonyms
4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-methylbenzoateOprea1_610945[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzoateAG-205/07691039
Database identifiers
- CAS
382164-78-5
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 739
Physicochemical properties
- Boiling point
- 575.495 · 575.495±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.177 · 1.177±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.048 · 8.048±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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