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CHEBI:75060 - 4-[1-(benzylamino)ethylidene]-2-(2,4-dibromophenyl)-5-methyl-2,4-dihydropyrazol-3-one

ChEBI IDCHEBI:75060
ChEBI Name4-[1-(benzylamino)ethylidene]-2-(2,4-dibromophenyl)-5-methyl-2,4-dihydropyrazol-3-one
Stars
DefinitionA ring assembly that is the 2-(2,4-dibromophenyl) derivative of 4-[1-(benzylamino)ethylidene]-5-methyl-2,4-dihydropyrazol-3-one.
Last Modified15 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H17Br2N3O
Net Charge0
Average Mass463.173
Monoisotopic Mass460.97384
SMILESCC1=NN(c2ccc(Br)cc2Br)C(=O)C1=C(C)NCc1ccccc1
InChIInChI=1S/C19H17Br2N3O/c1-12(22-11-14-6-4-3-5-7-14)18-13(2)23-24(19(18)25)17-9-8-15(20)10-16(17)21/h3-10,22H,11H2,1-2H3
InChIKeyKHINPNSXFQWPCD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-[1-(benzylamino)ethylidene]-2-(2,4-dibromophenyl)-5-methyl-2,4-dihydropyrazol-3-one (CHEBI:75060) is a enamine (CHEBI:47989)
4-[1-(benzylamino)ethylidene]-2-(2,4-dibromophenyl)-5-methyl-2,4-dihydropyrazol-3-one (CHEBI:75060) is a organobromine compound (CHEBI:37141)
4-[1-(benzylamino)ethylidene]-2-(2,4-dibromophenyl)-5-methyl-2,4-dihydropyrazol-3-one (CHEBI:75060) is a pyrazolone (CHEBI:83328)
IUPAC Name 
4-[1-(benzylamino)ethylidene]-2-(2,4-dibromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one