Basic information
- CAS
53306-90-4- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc(Cl)cc1- InChIKey
PVWSZUQCZGCZPJ-UHFFFAOYSA-N- Molecular formula
- C16H12ClN5O2
- Average molar mass
- 341.75 g/mol
- Monoisotopic mass
- 341.0679523
Names & identifiers
- Preferred name
- 4-[(E)-(4-Chlorophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(4-chlorophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Names & synonyms
NSC30376353306-90-4DTXSID50316481NSC-3037634-[(E)-(4-Chlorophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-oneDS-0145454-(4-chlorophenyl)diazenyl-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one4-[(E)-(4-chlorophenyl)azo]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one4-[(E)-(4-Chlorophenyl)diazenyl]-2-isonicotinoyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
53306-90-4- PubChem CID
- 327697
- DTXSID
DTXSID50316481
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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