Basic information
- CAS
24428-85-1- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
GJPXNIMNVCKWBB-VAWYXSNFSA-N- Molecular formula
- C19H15N3O4
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 349.10625597
Names & identifiers
- Preferred name
- 3-Pyrazolin-5-one, 3-methyl-4-(2-(p-nitrobenzoyl)vinyl)-1-phenyl-
- IUPAC
- 5-methyl-4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]-2-phenyl-1H-pyrazol-3-one
Names & synonyms
3-Pyrazolin-5-one, 3-methyl-4-(2-(p-nitrobenzoyl)vinyl)-1-phenyl-24428-85-1RefChem:1068567BRN 08427343-Methyl-4-(2-(p-nitrobenzoyl)vinyl)-1-phenyl-3-pyrazolin-5-one
Database identifiers
- CAS
24428-85-1- PubChem CID
- 6445189
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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