ethyl 1-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylate

HCID 66939677
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Basic information

Standard SMILES
CCOC(=O)c1cnn(Cc2nc(-c3cccc(C(F)(F)F)c3F)cs2)c1
InChIKey
PGRIIQTVYIWMPH-UHFFFAOYSA-N
Molecular formula
C17H13F4N3O2S
Average molar mass
399.4 g/mol
Monoisotopic mass
399.06646049

Names & identifiers

Preferred name
ethyl 1-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylate
IUPAC
ethyl 1-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate

Names & synonyms

ethyl 1-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylateSCHEMBL1199277

Database identifiers

PubChem CID
66939677

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
85.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
27

Related reactions

4 records
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Compound notes

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