Basic information
- CAS
78503-80-7- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc(-c2ccc(N)cc2)cc1- InChIKey
PVPHEEWBXNVLGB-UHFFFAOYSA-N- Molecular formula
- C22H18N6O2
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.14912384
Names & identifiers
- Preferred name
- 4-[(E)-(4'-Amino[1,1'-biphenyl]-4-yl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[[4-(4-aminophenyl)phenyl]diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Names & synonyms
NSC30376878503-80-7DTXSID50316486NSC-3037684-[(E)-(4'-Amino[1,1'-biphenyl]-4-yl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-oneDS-0052394-[(E)-[4-(4-aminophenyl)phenyl]azo]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one4-[4-(4-aminophenyl)phenyl]diazenyl-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one4-[(E)-(4'-Aminobiphenyl-4-yl)diazenyl]-2-isonicotinoyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
78503-80-7- PubChem CID
- 327702
- DTXSID
DTXSID50316486
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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