<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">315834</id>
  <title nil="true"/>
  <common-name>4-[(e)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-5-methyl-2-phenyl-1h-pyrazol-3-one</common-name>
  <description>4-[(e)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-5-methyl-2-phenyl-1h-pyrazol-3-one is a chemical compound with the formula C19H15ClN2O2. It has an average molecular weight of 338.80 g/mol.</description>
  <cas>24428-84-0</cas>
  <pubchem-id>6445188</pubchem-id>
  <chemical-formula>C19H15ClN2O2</chemical-formula>
  <weight>338.8</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">2026-08-29T13:20:10Z</created-at>
  <updated-at type="dateTime">2026-08-29T13:20:10Z</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>CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=CC(=O)C3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C19H15ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H15ClN2O2/c1-13-17(11-12-18(23)14-7-9-15(20)10-8-14)19(24)22(21-13)16-5-3-2-4-6-16/h2-12,21H,1H3/b12-11+</moldb-inchi>
  <moldb-inchikey>LZZFOHNKYCXKMF-VAWYXSNFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">338.0822054</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM311727</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-[(e)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-5-methyl-2-phenyl-1h-pyrazol-3-one</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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0266679</sync-id>
  <structure-inchikey>LZZFOHNKYCXKMF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000000000000002000000000000000000000080000000000800000000000020000000020000000004000000000000000000000000000080000000000000400000000000000000000020000000000a00000000000000000000000000010080001000000000000040000000000100000000000100000000000000004040020000800000200000000000000044000100000000000000000000000000000000020000000000084000000000000400000000000000000000000000000000000000000000000000000000100010004000442000000200000000000000004040000000000040000000000400000000000000000000000000400000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(�������(������@(������@8�������@(������@h�������@h�������@h�������@h�������@h��������h��������h��������(�������(������@(������@h�������@h�������@(������@h�������@h�������� ����������h���h���(���h���h��� ��h��	h�	
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��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:21:59Z</structure-indexed-at>
</compound>
