2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-3-propyl-2H-pyrazole-5-carboxylic acid ethyl ester
Basic information
- Standard SMILES
CCCc1cc(C(=O)OCC)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1- InChIKey
PBJRVPFJHVHHQQ-UHFFFAOYSA-N- Molecular formula
- C21H27FN4O3
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.2067189
Names & identifiers
- Preferred name
- 2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-3-propyl-2H-pyrazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-propylpyrazole-3-carboxylate
Names & synonyms
SCHEMBL2876845PBJRVPFJHVHHQQ-UHFFFAOYSA-N2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-3-propyl-2H-pyrazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58778055
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
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Related reactions
3 records
Compound notes
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