1-(2-nitrophenyl)-5-[(E)-2-phenylethenyl]-1H-pyrazole
Basic information
- CAS
1135334-17-6- Standard SMILES
O=[N+]([O-])c1ccccc1-n1nccc1/C=C/c1ccccc1- InChIKey
ADLIXBQSZOCBTF-ZHACJKMWSA-N- Molecular formula
- C17H13N3O2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.10077667
Names & identifiers
- Preferred name
- 1-(2-nitrophenyl)-5-[(E)-2-phenylethenyl]-1H-pyrazole
- IUPAC
- 1-(2-nitrophenyl)-5-[(E)-2-phenylethenyl]pyrazole
Names & synonyms
1-(2-nitrophenyl)-5-[(E)-2-phenylethenyl]-1H-pyrazoleDTXSID4012103031-(2-nitrophenyl)-5-styryl-1H-pyrazole1135334-17-61-(2-Nitrophenyl)-5-[(1E)-2-phenylethenyl]-1H-pyrazole
Database identifiers
- CAS
1135334-17-6- PubChem CID
- 24973809
- DTXSID
DTXSID401210303
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
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