<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">287298</id>
  <title nil="true"/>
  <common-name>1-(3-chlorophenyl)-n-ethyl-5-methoxypyrazole-3-carboxamide</common-name>
  <description>1-(3-chlorophenyl)-n-ethyl-5-methoxypyrazole-3-carboxamide belongs to the pyrazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the chemical formula C13H14ClN3O2 and an average molecular weight of 279.72 g/mol.</description>
  <cas>54708-72-4</cas>
  <pubchem-id>3041680</pubchem-id>
  <chemical-formula>C13H14ClN3O2</chemical-formula>
  <weight>279.72</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">2026-08-27T23:40:43Z</created-at>
  <updated-at type="dateTime">2026-08-27T23:40:43Z</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>CCNC(=O)C1=NN(C(=C1)OC)C2=CC(=CC=C2)Cl</moldb-smiles>
  <moldb-formula>C13H14ClN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C13H14ClN3O2/c1-3-15-13(18)11-8-12(19-2)17(16-11)10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,18)</moldb-inchi>
  <moldb-inchikey>HOARRELMHKQDGK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">279.0774544</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>CHEM283191</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>1-(3-chlorophenyl)-n-ethyl-5-methoxypyrazole-3-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>CED0239078</sync-id>
  <structure-inchikey>HOARRELMHKQDGK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000400200004000080000000000000040002000000000000040200002000000000000000000000004002000000000000000000400000008000000000000020000000000100000000000400000000000000010000000040010000100000000000000500000000000000000000000001004040000000800080000000000080000000000000000000000000000000000020000000000000000000080000000000000000000000000000000000000080000000000000000000008000000000000010000000000200000200000000080000000040000008000040000000000400000000080000000000000000000000</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�B���������	����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:00:42Z</structure-indexed-at>
</compound>
