1-[4-(4-Bromo-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-3-phenyl-5-trifluoromethyl-pyrazol-1-yl)-ethanone

HCID 21070976
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Basic information

Standard SMILES
COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccc4)c(Cl)c3C(F)(F)F)CC2)ccc1Br
InChIKey
RWRSAPZIVXZAJU-UHFFFAOYSA-N
Molecular formula
C23H21BrClF3N4O2
Average molar mass
557.8 g/mol
Monoisotopic mass
556.04885

Names & identifiers

Preferred name
1-[4-(4-Bromo-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-3-phenyl-5-trifluoromethyl-pyrazol-1-yl)-ethanone
IUPAC
1-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone

Names & synonyms

1-[4-(4-Bromo-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-3-phenyl-5-trifluoromethyl-pyrazol-1-yl)-ethanoneSCHEMBL2873380

Database identifiers

PubChem CID
21070976

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
34

Related reactions

3 records
New reaction record

Compound notes

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