3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one
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Basic information
- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1- InChIKey
PPHQWNUDYSYGAC-UHFFFAOYSA-N- Molecular formula
- C17H13N3O3
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.09569129
Names & identifiers
- Preferred name
- 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one
- IUPAC
- 5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazol-3-one
Names & synonyms
3-METHYL-4-((4-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONECBDivE_004333SCHEMBL29183817HFA60348NCI60_0057005-methyl-4-[(4-nitrophenyl)methylene]-2-phenyl-pyrazol-3-one4-(4-nitrobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
Database identifiers
- PubChem CID
- 358970
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
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Compound notes
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