EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:122047 - 5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester

ChEBI IDCHEBI:122047
ChEBI Name5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC14H15F3N2O3
Net Charge0
Average Mass316.279
Monoisotopic Mass316.10348
SMILESCCOC(=O)N1N=C(c2ccc(C)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O3/c1-3-22-12(20)19-13(21,14(15,16)17)8-11(18-19)10-6-4-9(2)5-7-10/h4-7,21H,3,8H2,1-2H3
InChIKeyWRFRKUUPZBLDQT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester (CHEBI:122047) is a toluenes (CHEBI:27024)
Manual XrefsDatabases
LSM-33490LINCS