Ethyl 1-(6-{2-[(4-bromobenzyl)oxy]phenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

HCID 67159752
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(Br)cc3)n2)c1C(F)(F)F
InChIKey
BFAHVOJRMWGJTG-UHFFFAOYSA-N
Molecular formula
C25H19BrF3N3O3
Average molar mass
546.3 g/mol

Names & identifiers

Preferred name
Ethyl 1-(6-{2-[(4-bromobenzyl)oxy]phenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
IUPAC
ethyl 1-[6-[2-[(4-bromophenyl)methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Names & synonyms

Ethyl 1-(6-{2-[(4-bromobenzyl)oxy]phenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1784182

Database identifiers

PubChem CID
67159752

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
66.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
35

Related reactions

6 records
New reaction record

Compound notes

Loading…