5-Methyl-4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
Basic information
- CAS
53307-00-9- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc(C)c([N+](=O)[O-])c1- InChIKey
JQGZXEGDSVWTQD-UHFFFAOYSA-N- Molecular formula
- C17H14N6O4
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 366.10765295
Names & identifiers
- Preferred name
- 5-Methyl-4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-methyl-4-[(4-methyl-3-nitrophenyl)diazenyl]-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Names & synonyms
NSC30376553307-00-9DTXSID70316483NSC-3037655-Methyl-4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-oneDS-0090145-methyl-4-(4-methyl-3-nitro-phenyl)diazenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one5-methyl-4-[(E)-(4-methyl-3-nitro-phenyl)azo]-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one2-Isonicotinoyl-5-methyl-4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
53307-00-9- PubChem CID
- 327699
- DTXSID
DTXSID70316483
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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