<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">286211</id>
  <title nil="true"/>
  <common-name>5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carboxamide</common-name>
  <description>5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carboxamide belongs to the pyrazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C12H6Cl2F6N4O and an average molecular weight of 407.10 g/mol.</description>
  <cas>1115248-09-3</cas>
  <pubchem-id>102123035</pubchem-id>
  <chemical-formula>C12H6Cl2F6N4O</chemical-formula>
  <weight>407.1</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">2026-08-27T22:11:49Z</created-at>
  <updated-at type="dateTime">2026-08-27T22:11:49Z</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>C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)C(F)(F)F)N)Cl)C(F)(F)F</moldb-smiles>
  <moldb-formula>C12H6Cl2F6N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C12H6Cl2F6N4O/c13-4-1-3(11(15,16)17)2-5(14)8(4)24-9(21)6(12(18,19)20)7(23-24)10(22)25/h1-2H,21H2,(H2,22,25)</moldb-inchi>
  <moldb-inchikey>PLPNAEYXUDBSAJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">405.9822852</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM282104</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>5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-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">13</paper-count>
  <sync-id>CED0032914</sync-id>
  <structure-inchikey>PLPNAEYXUDBSAJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000820000000000000000000008000000000000000000400000000000002003000000000000000000000000000200000000000000000400000000000002000000020000000000000000000000000000000000000014002000000000000100000000000000100400000000000000000000000010000000000000010000000000002001000000000000000000000080000000000000000000000000040080000000040000000044000000000000000000000000000000000000000000000000000000010000000000000300000000000000000000000000008000142000000000400800000080000000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:59:55Z</structure-indexed-at>
</compound>
