Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2cccs2)nn1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
VOCDVDANMTYQMD-UHFFFAOYSA-N- Molecular formula
- C22H23ClN4O3S
- Average molar mass
- 459 g/mol
- Monoisotopic mass
- 458.1179395
Names & identifiers
- Preferred name
- 2-(2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl)-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-thiophen-2-ylpyrazole-5-carboxylate
Names & synonyms
2-(2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl)-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl ester2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl esterSCHEMBL2874147VOCDVDANMTYQMD-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 58778044
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 626
Related reactions
3 records
Compound notes
Loading…