3-Methyl-4-(3-methyl-5-oxo-1-phenyl(2-pyrazolin-4-yl))-4-[3-(4-nitrophenyl)-5-oxo-1-phenyl(2-pyrazolin-4-yl)]-1-phenyl-2-pyrazolin-5-one
Basic information
- CAS
1217814-31-7- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1C1(C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N=C1C- InChIKey
YRGNNBWEALFYLI-UHFFFAOYSA-N- Molecular formula
- C35H27N7O5
- Average molar mass
- 625.6 g/mol
- Monoisotopic mass
- 625.20736699
Names & identifiers
- Preferred name
- 3-Methyl-4-(3-methyl-5-oxo-1-phenyl(2-pyrazolin-4-yl))-4-[3-(4-nitrophenyl)-5-oxo-1-phenyl(2-pyrazolin-4-yl)]-1-phenyl-2-pyrazolin-5-one
- IUPAC
- 5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-phenylpyrazol-3-one
Names & synonyms
AKOS024387597ST510404243-methyl-4-(3-methyl-5-oxo-1-phenyl(2-pyrazolin-4-yl))-4-[3-(4-nitrophenyl)-5- oxo-1-phenyl(2-pyrazolin-4-yl)]-1-phenyl-2-pyrazolin-5-one
Database identifiers
- CAS
1217814-31-7- PubChem CID
- 43835441
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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