Basic information
- CAS
7702-81-0- Standard SMILES
O=C(c1ccc([N+](=O)[O-])cc1)C1N=NCC1c1ccccc1- InChIKey
BDEHDTHOWLSMEX-UHFFFAOYSA-N- Molecular formula
- C16H13N3O3
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.09569129
Names & identifiers
- Preferred name
- (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
- IUPAC
- (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
Names & synonyms
7702-81-0NSC405851(4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanoneDTXSID20324139NSC-405851(4-Nitrophenyl)(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
Database identifiers
- CAS
7702-81-0- PubChem CID
- 347274
- DTXSID
DTXSID20324139
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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