Basic information
- Standard SMILES
Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCc1ccc([N+](=O)[O-])cc1- InChIKey
MRIMLQSXBHNOGG-UHFFFAOYSA-N- Molecular formula
- C24H21FN4O2
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- 5-[3-(4-Nitrophenyl)propyl]-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazole
- IUPAC
- 4-[3-(4-fluorophenyl)-1-methyl-5-[3-(4-nitrophenyl)propyl]pyrazol-4-yl]pyridine
Names & synonyms
SCHEMBL6028318MRIMLQSXBHNOGG-UHFFFAOYSA-N5-[3-(4-nitrophenyl)propyl]-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazole
Database identifiers
- PubChem CID
- 21992365
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 566
Related reactions
3 records
Compound notes
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