1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Basic information
- CAS
78503-94-3- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
PPLIHMCGXWXRRN-UHFFFAOYSA-N- Molecular formula
- C21H19N7O3
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.15493749
Names & identifiers
- Preferred name
- 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 1,5-dimethyl-4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-2-phenylpyrazol-3-one
Names & synonyms
NSC30376278503-94-3DTXSID90316480NSC-3037621,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one1,5-dimethyl-4-[(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]azo]-2-phenyl-pyrazol-3-one4-[(E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
78503-94-3- PubChem CID
- 327696
- DTXSID
DTXSID90316480
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 853
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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