Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(CCNCc3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)cc1- InChIKey
ZWWDRYFASLPZKL-UHFFFAOYSA-N- Molecular formula
- C28H30N6O2
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.24302422
Names & identifiers
- Preferred name
- 1,5-Diphenyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
- IUPAC
- N-[(1,5-diphenylpyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
Names & synonyms
SCHEMBL4245577ZWWDRYFASLPZKL-UHFFFAOYSA-N1,5-diphenyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
Database identifiers
- PubChem CID
- 16038784
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 661
Related reactions
2 records
Compound notes
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