<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296969</id>
  <title nil="true"/>
  <common-name>4-cyclohexyl-1-phenylpyrazolidine-3,5-dione</common-name>
  <description>4-cyclohexyl-1-phenylpyrazolidine-3,5-dione belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. It has the formula C15H18N2O2 and an average molecular weight of 258.32 g/mol.</description>
  <cas>54505-59-8</cas>
  <pubchem-id>3041629</pubchem-id>
  <chemical-formula>C15H18N2O2</chemical-formula>
  <weight>258.32</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">2026-08-28T13:10:27Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:10:27Z</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>C1CCC(CC1)C2C(=O)NN(C2=O)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C15H18N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H18N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,16,18)</moldb-inchi>
  <moldb-inchikey>OAZDLPWPRZZHFU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">258.1368278</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM292862</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-cyclohexyl-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>CED0248357</sync-id>
  <structure-inchikey>OAZDLPWPRZZHFU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>24000000000000000000000000000000000000000000000000001000000000000000080000000020000000000000000004000000000000000000000000010000000000000000000040400000000000008020000000000000000000000000000000000000000400000000000000000020000000020100000000000000000000100820004000000000800000200000000000000000000100000020000000000000000000000004000000800000080000000000000000040000000000000000000000000000000000000040000000000000000000000000010000000200000000000000000040000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������(�������(�������(������@(������@h�������@h�������@h�������@h�������@h������������������������������(��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:08:02Z</structure-indexed-at>
</compound>
