<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296190</id>
  <title nil="true"/>
  <common-name>Ethyl 3-[[(e)-(4-cyanophenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate</common-name>
  <description>Ethyl 3-[[(e)-(4-cyanophenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate belongs to the pyrazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C15H15N5O4S and an average molecular weight of 361.40 g/mol.</description>
  <cas>145865-76-5</cas>
  <pubchem-id>9588864</pubchem-id>
  <chemical-formula>C15H15N5O4S</chemical-formula>
  <weight>361.4</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">2026-08-28T12:18:19Z</created-at>
  <updated-at type="dateTime">2026-08-28T12:18:19Z</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>CCOC(=O)C1=CN(N=C1S(=O)(=O)NN=CC2=CC=C(C=C2)C#N)C</moldb-smiles>
  <moldb-formula>C15H15N5O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H15N5O4S/c1-3-24-15(21)13-10-20(2)18-14(13)25(22,23)19-17-9-12-6-4-11(8-16)5-7-12/h4-7,9-10,19H,3H2,1-2H3/b17-9+</moldb-inchi>
  <moldb-inchikey>BHTSGLOEZSKGKQ-RQZCQDPDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">361.0844752</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.1</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>CHEM292083</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>Ethyl 3-[[(e)-(4-cyanophenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate</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>CED0247604</sync-id>
  <structure-inchikey>BHTSGLOEZSKGKQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40200000000000800002000000000050000000000000000000000000000002000002004400000000020000002000000000000000000000800000000200000000000000000000000000000000000020000020000300000804004000010000004200010000200000000080000000000000000100000000400000000000000000000040000000000000000000804080000000008000000000020000080000000000000000000000000000088020000000000000000000080000000000000000000000000000000000000000000000004000000080002000000200200000000000000000000000001040000000000400000000280000000100000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������@(������@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">2026-09-19T05:07:29Z</structure-indexed-at>
</compound>
