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<compound>
  <id type="integer">306435</id>
  <title nil="true"/>
  <common-name>3-(2-ethoxyphenyl)-n-[(e)-thiophen-2-ylmethylideneamino]-1h-pyrazole-5-carboxamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6864978</pubchem-id>
  <chemical-formula>C17H16N4O2S</chemical-formula>
  <weight>340.4</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">2026-08-29T00:14:30Z</created-at>
  <updated-at type="dateTime">2026-08-29T00:14:30Z</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>CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC=CS3</moldb-smiles>
  <moldb-formula>C17H16N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H16N4O2S/c1-2-23-16-8-4-3-7-13(16)14-10-15(20-19-14)17(22)21-18-11-12-6-5-9-24-12/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+</moldb-inchi>
  <moldb-inchikey>LVUMBJTWDUIZTD-WOJGMQOQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">340.0993969</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>CHEM302328</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>3-(2-ethoxyphenyl)-n-[(e)-thiophen-2-ylmethylideneamino]-1h-pyrazole-5-carboxamide</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>CED0257493</sync-id>
  <structure-inchikey>LVUMBJTWDUIZTD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000020800000000000000100000000000000000000000440000000000002000002000000008000002121000000004000000000000002000000000000000000000000001100000000000020000010000300000004000000000000000000010000000000000080100000000100080100000010004880000000000000000040000000800000200100000080000000000100000000020000000000000000000000000000000010080000002000000000080000000200000000000000000009000000000000000000000000000000000000000000000200000000000000000000000000001040000000000400000000000020000080080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(������@(������@h�������@h�������@h�������@h�������@(������@(������@(������@8�������@(������@h��������(�������(�������h��������(�������h�������@(������@h�������@h�������@h�������@(�������������� ��h���h���h���h���h��	 	
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	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:14:56Z</structure-indexed-at>
</compound>
