<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346096</id>
  <title nil="true"/>
  <common-name>4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one</common-name>
  <description>4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is a chemical compound with the formula C27H23N5O3. It has an average molecular weight of 465.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3057159</pubchem-id>
  <chemical-formula>C27H23N5O3</chemical-formula>
  <weight>465.5</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">2026-08-31T09:25:22Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:25:22Z</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(N1C)C2=CC=CC=C2)N=CC3=C(N(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O</moldb-smiles>
  <moldb-formula>C27H23N5O3</moldb-formula>
  <moldb-inchi>InChI=1S/C27H23N5O3/c1-19-24(27(35)30(29(19)2)20-12-6-3-7-13-20)28-18-23-25(33)31(21-14-8-4-9-15-21)32(26(23)34)22-16-10-5-11-17-22/h3-18,33H,1-2H3</moldb-inchi>
  <moldb-inchikey>CDNSMYXHIAHZLX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">465.1800896</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM341989</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-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-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>CED0296450</sync-id>
  <structure-inchikey>CDNSMYXHIAHZLX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000008000000000000000000000000000004000000000000000000004220010000020002000004000000000200000000000000000880000000008000000000000000000000020020000000000200200004000000000000008000010000000000000080000000000000000100000800000000000000000000004040000000800000000000004000000000000100000000100000000000000000000000000000000000080000000000001000000000004000000000000000000000000000002000000000000000400000000000002000000200020000000000000040000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAjAAAAJwAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:56Z</structure-indexed-at>
</compound>
