<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-19 20:30:24 UTC</creation_date>
  <update_date>2026-08-19 20:30:24 UTC</update_date>
  <accession/>
  <common_name>5-chloro-1,3-dimethyl-n-(1,1,3-trimethyl-3h-2-benzofuran-4-yl)pyrazole-4-carboxamide</common_name>
  <class>SmallMolecule</class>
  <description>5-chloro-1,3-dimethyl-n-(1,1,3-trimethyl-3h-2-benzofuran-4-yl)pyrazole-4-carboxamide belongs to the isocoumarans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C17H20ClN3O2 and an average molecular weight of 333.80 g/mol.

The substance has been identified in or released from 23 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, amplifiers, coils, auxiliary devices, and communication cables or conductors, among five other sources. In the context of building and construction, it is found in relation to floors, roofs, fencing, ladders, and stairs and ramps, as well as two additional sources. Its presence is also noted in food, food processing, and cookware, specifically regarding the processing of fish, the preparation of malt, and molasses and the treatment of molasses. Furthermore, the compound is linked to household items such as key rings and household cleaning and consumer products, including soap dispensers and ash trays.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C17H20ClN3O2</chemical_formula>
  <average_molecular_weight>333.8</average_molecular_weight>
  <monisotopic_moleculate_weight>333.1244046</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>123572-88-3</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C17H20ClN3O2/c1-9-13(15(18)21(5)20-9)16(22)19-12-8-6-7-11-14(12)10(2)23-17(11,3)4/h6-8,10H,1-5H3,(H,19,22)</inchi>
  <inchikey>NRTLIYOWLVMQBO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>333.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>333.1244046</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H20ClN3O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C17H20ClN3O2/c1-9-13(15(18)21(5)20-9)16(22)19-12-8-6-7-11-14(12)10(2)23-17(11,3)4/h6-8,10H,1-5H3,(H,19,22)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NRTLIYOWLVMQBO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727ff5bc40&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3083543</pubchem_compound_id>
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  <wikipidia/>
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</compound>
