Basic information
- Standard SMILES
CCOC(=O)c1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(F)cc2)cc1- InChIKey
OXDYZUIYYVWISR-MDWZMJQESA-N- Molecular formula
- C22H20FN3O3
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.14886967
Names & identifiers
- Preferred name
- ethyl 4-({(2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]prop-2-enoyl}amino)benzoate
- IUPAC
- ethyl 4-[[(E)-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]prop-2-enoyl]amino]benzoate
Names & synonyms
SCHEMBL4836376OXDYZUIYYVWISR-MDWZMJQESA-Nethyl 4-({(2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]prop-2-enoyl}amino)benzoate
Database identifiers
- PubChem CID
- 69210344
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
Loading…