EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47529 - 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL

Default Structure
ChEBI IDCHEBI:47529
ChEBI Name3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
Stars
DownloadsMolfile
FormulaC17H15ClN2O2
Net Charge0
Average Mass314.772
Monoisotopic Mass314.08221
SMILES[H]Oc1c([H])c([H])c([H])c([C@@]2([H])N(C(=O)C([H])([H])[H])N=C(c3c([H])c([H])c([H])c([H])c3Cl)C2([H])[H])c1[H]
InChIInChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3/t17-/m0/s1
InChIKeyQBZAPFWYAPXRGQ-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL (CHEBI:47529) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[(5S)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenolPDBeChem
3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOLPDBeChem
Manual XrefsDatabases
L47PDBeChem