CHEBI:112679 - [4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-(2-oxiranyl)methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-(2-oxiranyl)methanone
ChEBI ID CHEBI:112679
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H11ClN2O2
Net Charge 0
Average Mass 250.681
Monoisotopic Mass 250.05091
InChI InChI=1S/C12H11ClN2O2/c13-8-3-1-7(2-4-8)9-5-14-15-11(9)12(16)10-6-17-10/h1-4,9-10,14H,5-6H2
InChIKey SZDKEIKBDDMERI-UHFFFAOYSA-N
SMILES C1C(C(=NN1)C(=O)C2CO2)C3=CC=C(C=C3)Cl
ChEBI Ontology
Outgoing [4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-(2-oxiranyl)methanone (CHEBI:112679) is a organochlorine compound (CHEBI:36683)
Manual Xref Database
LSM-24089 LINCS
View more database links