19043 <common-name>4-Methyl-1-phenylpyrazolidin-3-one</common-name> <description>4-Methyl-1-phenylpyrazolidin-3-one belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C10H12N2O and an average molecular weight of 176.22 g/mol.</description> <cas>2654-57-1</cas> <pubchem-id>98282</pubchem-id> <chemical-formula>C10H12N2O</chemical-formula> <weight>176.21</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">2016-05-22T04:45:53Z</created-at> <updated-at type="dateTime">2026-08-17T23:30:51Z</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=C1O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C10H12N2O</moldb-formula> <moldb-inchi>InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)</moldb-inchi> <moldb-inchikey>ZZEYCGJAYIHIAZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">176.219</moldb-average-mass> <moldb-mono-mass type="decimal">176.094963014</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>88746</chemspider-id> <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>CHEM017938</chemdb-id> <dsstox-id>DTXSID8044412</dsstox-id> <toxcast-id>44412</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019798</susdat-id> <iupac>4-methyl-1-phenylpyrazolidin-3-one</iupac> <moldb-polar-surface-area>35.83</moldb-polar-surface-area> <moldb-refractivity>61.188300000000005</moldb-refractivity> <moldb-polarizability>19.244642138983416</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>5.494590188676223</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.1824219271389746</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.06</moldb-alogps-logp> <moldb-alogps-logs>-1.94</moldb-alogps-logs> <moldb-alogps-solubility>2.01e+00 g/l</moldb-alogps-solubility> <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>CED0118212</sync-id> <structure-inchikey>ZZEYCGJAYIHIAZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000002004000040000000000000000000000004000000000000000000000000000000000000000000000000000000001100000000100000010000000000000000000000000000020100000000000000000000100000004040000004800000000000000000000000000100000000000000000000000000040000000000000000080000000000000000200000000000000000000000000000000000002004000000000000000000000000000000000200000000000000000040000000000040000000000000000000400000000000800000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€���`�������`�������`�������(�������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@h������������������ ��(��� �� ��h�� h� h� �h���h������h�B������������ �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:07:25Z</structure-indexed-at> </compound>