Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2cccs2)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1- InChIKey
LQJCYZYDTDOWKA-UHFFFAOYSA-N- Molecular formula
- C22H23FN4O3S
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- 2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-thiophen-2-ylpyrazole-5-carboxylate
Names & synonyms
SCHEMBL2873416LQJCYZYDTDOWKA-UHFFFAOYSA-N2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58778027
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 626
Related reactions
3 records
Compound notes
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