88702 <common-name>2-Acetyl-4-methyl-1-phenylpyrazolidin-3-one</common-name> <description>2-Acetyl-4-methyl-1-phenylpyrazolidin-3-one belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. It has the formula C12H14N2O2 and an average molecular weight of 218.26 g/mol.</description> <cas>2655-48-3</cas> <pubchem-id>102866</pubchem-id> <chemical-formula>C12H14N2O2</chemical-formula> <weight nil="true"/> <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">2026-04-04T23:11:00Z</created-at> <updated-at type="dateTime">2026-04-04T23:11:00Z</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>CC1CN(N(C(C)=O)C1=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H14N2O2</moldb-formula> <moldb-inchi>InChI=1/C12H14N2O2/c1-9-8-13(11-6-4-3-5-7-11)14(10(2)15)12(9)16/h3-7,9H,8H2,1-2H3</moldb-inchi> <moldb-inchikey>BPNPRBBKUKZUCD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">218.256</moldb-average-mass> <moldb-mono-mass type="decimal">218.1055277</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM084595</chemdb-id> <dsstox-id>DTXSID60949401</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00049492</susdat-id> <iupac nil="true"/> <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">0</paper-count> <sync-id>CED0130941</sync-id> <structure-inchikey>BPNPRBBKUKZUCD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>24000000000000000002000000000000000000000000000000000000000000000000000000000020000000014000000004000000000000000000000000000000040000000000000000000000000000000020000000000000000000001000000000000000010000000000000000000000000000020100000000002000000000500000004040000000800080000000000000000000000100000000000000000000000008040000000000000000080000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000200004000000000000040000000000040000000000400000000000000000000100000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAICBwAoAAAAAwMHACgAAAADAwYAKAAAAAMEBgBgAAAAAQMIACgA AAADAgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAgACAwADBAAEBSAF BgAFBygCBAggCAkoAgMKIAoLaAwLDGgMDA1oDA0OaAwOD2gMCAEADwpoDEIC AAAABQECAwQIBgsMDQ4PChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:16Z</structure-indexed-at> </compound>