EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114212 - [5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

ChEBI IDCHEBI:114212
ChEBI Name[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Stars
DownloadsMolfile
FormulaC16H16F3N5O5
Net Charge0
Average Mass415.328
Monoisotopic Mass415.11035
SMILESCC1=NN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H16F3N5O5/c1-8-6-15(26,16(17,18)19)23(20-8)14(25)12-5-4-11(29-12)7-22-10(3)13(24(27)28)9(2)21-22/h4-5,26H,6-7H2,1-3H3
InChIKeyFUHDQGAGIQCGHN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CHEBI:114212) is a furoic acid (CHEBI:36055)
Manual XrefsDatabases
LSM-25673LINCS