(3-nitrophenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
Basic information
- CAS
7598-96-1- Standard SMILES
O=C(C1=NNCC1c1ccccc1)c1cccc([N+](=O)[O-])c1- InChIKey
CNSLDKDRCRXJEW-UHFFFAOYSA-N- Molecular formula
- C16H13N3O3
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.09569129
Names & identifiers
- Preferred name
- (3-nitrophenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
- IUPAC
- (3-nitrophenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
Names & synonyms
7598-96-1(3-nitrophenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanoneNSC405850DTXSID60324138NSC-405850(3-Nitrophenyl)(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
Database identifiers
- CAS
7598-96-1- PubChem CID
- 347273
- DTXSID
DTXSID60324138
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
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Compound notes
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