<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">316345</id>
  <title nil="true"/>
  <common-name>N-[(e)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-1h-pyrazole-5-carboxamide</common-name>
  <description>N-[(e)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-1h-pyrazole-5-carboxamide is a chemical compound with the formula C19H17N5O5. It has an average molecular weight of 395.40 g/mol.</description>
  <cas>303106-90-3</cas>
  <pubchem-id>135683064</pubchem-id>
  <chemical-formula>C19H17N5O5</chemical-formula>
  <weight>395.4</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">2026-08-29T14:06:23Z</created-at>
  <updated-at type="dateTime">2026-08-29T14:06:23Z</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>CC(=NNC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)O)OC</moldb-smiles>
  <moldb-formula>C19H17N5O5</moldb-formula>
  <moldb-inchi>InChI=1S/C19H17N5O5/c1-11(12-6-7-17(25)18(9-12)29-2)20-23-19(26)16-10-15(21-22-16)13-4-3-5-14(8-13)24(27)28/h3-10,25H,1-2H3,(H,21,22)(H,23,26)/b20-11+</moldb-inchi>
  <moldb-inchikey>TUZKINJRFUCIOQ-RGVLZGJSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">395.1229687</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM312238</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>N-[(e)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-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>CED0267184</sync-id>
  <structure-inchikey>TUZKINJRFUCIOQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000100000000000000000000000000400000000000000002000000000000002020000000000800000000000002000000000000000000000000000100020000000020000000000108001004008000400000000000030000000241000000100000000100000008000000000800000000400001000040000000800000210000000080808000001000000000000100000020000000000000000000000000084000000000000000000000100200000000000090000000000000002120000000000000000400004000000000000210000000000000400000000000000040000000000400000800001020000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������h��������(�������(������@(������@h�������@(������@(������@8�������@(������@h�������@(������@h�������@h�������@h������� *��������(������ *���ÿ���@(������@h�������@(������@(������@h�������@h��������h��������(�������`�����������(��� �� ��(��� ��h���h��	h�	
h��� ��h��h��h���h���h�� ��(��� �� ��h���h���h���h���h��� �� ���
�h���h���h�B�������
	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:22:26Z</structure-indexed-at>
</compound>
