1,5-Dimethyl-4-((3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Basic information
- CAS
78439-24-4- Standard SMILES
CC1=NNC(=O)C1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
RTRROIUHWKBNRP-UHFFFAOYSA-N- Molecular formula
- C15H16N6O2
- Average molar mass
- 312.33 g/mol
- Monoisotopic mass
- 312.13347377
Names & identifiers
- Preferred name
- 1,5-Dimethyl-4-((3-methyl-5-oxo-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-1,4-dihydropyrazol-4-yl)diazenyl]-2-phenylpyrazol-3-one
Names & synonyms
78439-24-4NSC356240NSC 3562401,5-Dimethyl-4-((3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one1,5-dimethyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-2-phenyl-pyrazol-3-oneNSC-3562401,5-dimethyl-4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneS7M66W967FAF-886/305720511,5-dimethyl-4-[(E)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]-2-phenyl-pyrazol-3-one3H-Pyrazol-3-one, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl]-1,2-dihydro-1,5-dimethyl-2-phenyl-4-[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
Database identifiers
- CAS
78439-24-4- PubChem CID
- 337610
- UNII
- S7M66W967F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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