4-[(E)-(2-Chloro-4-nitrophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
Basic information
- CAS
78503-81-8- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1Cl- InChIKey
QDFFKVRACYGSJQ-UHFFFAOYSA-N- Molecular formula
- C16H11ClN6O4
- Average molar mass
- 386.75 g/mol
- Monoisotopic mass
- 386.0530305
Names & identifiers
- Preferred name
- 4-[(E)-(2-Chloro-4-nitrophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(2-chloro-4-nitrophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Names & synonyms
NSC30376478503-81-8DTXSID10316482NSC-3037644-[(E)-(2-Chloro-4-nitrophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-oneDS-0144684-(2-chloro-4-nitro-phenyl)diazenyl-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one4-[(E)-(2-chloro-4-nitro-phenyl)azo]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one4-[(E)-(2-Chloro-4-nitrophenyl)diazenyl]-2-isonicotinoyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
78503-81-8- PubChem CID
- 327698
- DTXSID
DTXSID10316482
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 672
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…