CHEBI:183473 - ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate
ChEBI ID CHEBI:183473
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H13Cl3N2O2
Net Charge 0
Average Mass 395.660
Monoisotopic Mass 394.00426
InChI InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)13-10-22-23(16(13)11-6-4-3-5-7-11)17-14(20)8-12(19)9-15(17)21/h3-10H,2H2,1H3
InChIKey DHCUVWJIFJLSPB-UHFFFAOYSA-N
SMILES ClC1=C(N2N=CC(=C2C3=CC=CC=C3)C(OCC)=O)C(Cl)=CC(Cl)=C1
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
ChEBI Ontology
Outgoing ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate (CHEBI:183473) is a pyrazoles (CHEBI:26410)
ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate (CHEBI:183473) is a ring assembly (CHEBI:36820)
IUPAC Name
ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylate
Manual Xref Database
2084123 ChemSpider
View more database links