CHEBI:107899 - 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one
ChEBI ID CHEBI:107899
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H23N5O4
Net Charge 0
Average Mass 481.504
Monoisotopic Mass 481.17500
InChI InChI=1S/C27H23N5O4/c1-17-23(26(33)30(28-17)20-11-5-3-6-12-20)25(19-10-9-15-22(16-19)32(35)36)24-18(2)29-31(27(24)34)21-13-7-4-8-14-21/h3-16,25,28-29H,1-2H3
InChIKey CSZZLYHNHCKPJN-UHFFFAOYSA-N
SMILES CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C
ChEBI Ontology
Outgoing 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one (CHEBI:107899) is a pyrazoles (CHEBI:26410)
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one (CHEBI:107899) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-19276 LINCS
View more database links