287083 <common-name>4-[(z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione</common-name> <description>4-[(z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H13ClN2O2 and an average molecular weight of 264.71 g/mol.</description> <cas>25809-71-6</cas> <pubchem-id>6445246</pubchem-id> <chemical-formula>C13H13ClN2O2</chemical-formula> <weight>264.71</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-27T23:25:19Z</created-at> <updated-at type="dateTime">2026-08-27T23:25:19Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(=CCC1C(=O)NN(C1=O)C2=CC=CC=C2)Cl</moldb-smiles> <moldb-formula>C13H13ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H13ClN2O2/c1-9(14)7-8-11-12(17)15-16(13(11)18)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,15,17)/b9-7-</moldb-inchi> <moldb-inchikey>ODTZKVRNRKXAON-CLFYSBASSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">264.0665554</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM282976</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-[(z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0238869</sync-id> <structure-inchikey>ODTZKVRNRKXAON-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000800000000000000000000000000000000100000000000000000000040020000000000000000004000000000020000000000100000000000000000000000040000000000000008020000000000210000000000000000000000000010000000000000000000000008000000100000000000000000000500020004040000000800000200000000000000000000100000020000000000000800800000000000000800000080000000000000000000000000000000000000000000000000100000040000000000000000010000000000000000200000000000000000040000000000040000000000000000400000000000000000000000020</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMGACgAAAAD BAYAaAAAAAMDAQYAYAAAAAICBgBgAAAAAwEGACgAAAADBAgAKAAAAAMCBwBo AAAAAwIBBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQGQGgAAAAD AwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwERACAAAAAB CwABAAECCAICAwADBAAEBQAFBigCBQcgBwgACAkgCQooAggLIAsMaAwMDWgM DQ5oDA4PaAwPEGgMAREACQQAEAtoDEICAAAABQQFBwgJBgwNDg8QCxcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:33Z</structure-indexed-at> </compound>