Basic information
- Standard SMILES
COc1ccc(Cn2nc(NCc3ccc(F)cc3)cc2C=O)cc1- InChIKey
OXRKOCJAIFUVJU-UHFFFAOYSA-N- Molecular formula
- C19H18FN3O2
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- 5-(4-fluoro-benzylamino)-2-(4-methoxy-benzyl)-2H-pyrazole-3-carbaldehyde
- IUPAC
- 3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
Names & synonyms
SCHEMBL1882797OXRKOCJAIFUVJU-UHFFFAOYSA-N5-(4-fluoro-benzylamino)-2-(4-methoxy-benzyl)-2H-pyrazole-3-carbaldehyde
Database identifiers
- PubChem CID
- 58259136
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 409
Related reactions
3 records
Compound notes
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