2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl ester

HCID 58778027

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

Related reactions

3 records

Compound notes

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