EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123230 - 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea

ChEBI IDCHEBI:123230
ChEBI Name1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
Stars
DownloadsMolfile
FormulaC18H13F5N4O
Net Charge0
Average Mass396.319
Monoisotopic Mass396.10095
SMILESCn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13F5N4O/c1-27-16(25-17(28)24-13-8-6-12(20)7-9-13)14(15(26-27)18(21,22)23)10-2-4-11(19)5-3-10/h2-9H,1H3,(H2,24,25,28)
InChIKeyBJWCFFZTMUBHLH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea (CHEBI:123230) is a pyrazoles (CHEBI:26410)
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea (CHEBI:123230) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-34672LINCS