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CHEBI:195599 - CH-223191

Default Structure
ChEBI IDCHEBI:195599
ChEBI NameCH-223191
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 1-methyl-1H-pyrazole-5-carboxylic acid with the amino group of 2-methyl-4-[(2-methylphenyl)diazenyl]aniline. It is a potent aryl hydrocarbon receptor (AhR) antagonist (IC50 = 30 nM).
Secondary ChEBI IDCHEBI:125508
Last Modified25 August 2023
Submitterslaulederkind
DownloadsMolfile
FormulaC19H19N5O
Net Charge0
Average Mass333.395
Monoisotopic Mass333.15896
SMILESCc1ccccc1N=Nc1ccc(NC(=O)c2ccnn2C)c(C)c1
InChIInChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)
InChIKeyLKTNEXPODAWWFM-UHFFFAOYSA-N
Roles Classification
Biological Role:
aryl hydrocarbon receptor antagonist  An antagonist that binds to and activates aryl hydrocarbon receptors (AhRs).
ChEBI Ontology
Outgoing Relation(s)
CH-223191 (CHEBI:195599) has functional parent 1-methyl-pyrazole-5-carboxylic acid (CHEBI:74737)
CH-223191 (CHEBI:195599) has role aryl hydrocarbon receptor antagonist (CHEBI:76998)
CH-223191 (CHEBI:195599) is a aromatic amide (CHEBI:62733)
CH-223191 (CHEBI:195599) is a monoazo compound (CHEBI:48959)
CH-223191 (CHEBI:195599) is a pyrazoles (CHEBI:26410)
CH-223191 (CHEBI:195599) is a secondary carboxamide (CHEBI:140325)
CH-223191 (CHEBI:195599) is a toluenes (CHEBI:27024)
IUPAC Name 
1-methyl-N-{2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}-1H-pyrazole-5-carboxamide
Synonyms  Source
2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazo-phenyl)-amideChEBI
2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amideSUBMITTER
2-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]pyrazole-3-carboxamideChEBI
CH 223191ChEBI
CH223191ChEBI
Manual XrefsDatabases
LSM-37014LINCS
Registry NumbersSources
CAS:301326-22-7SUBMITTER
Citations