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

HCID 58778026
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Basic information

Standard SMILES
CCOC(=O)c1cnn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIKey
RHOCFVDCBOIWBS-UHFFFAOYSA-N
Molecular formula
C18H21FN4O3
Average molar mass
360.4 g/mol

Names & identifiers

Preferred name
1-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC
ethyl 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylate

Names & synonyms

SCHEMBL2878078RHOCFVDCBOIWBS-UHFFFAOYSA-N1-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-4-carboxylic acid ethyl ester

Database identifiers

PubChem CID
58778026

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
67.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

3 records
New reaction record

Compound notes

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