<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3981</id>
  <title>T3D3926</title>
  <common-name>Tebufenpyrad</common-name>
  <description>Tebufenpyrad is an exogenous organic compound with the formula C18H24ClN3O and an average molecular weight of 333.86 g/mol. It exists as a solid at room temperature. Tebufenpyrad belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds.

Biologically and chemically, the compound functions as a mitochondrial NADH:ubiquinone reductase inhibitor. It has 32 recorded protein targets, including CD38 (ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1), CCL2 (C-C motif chemokine 2), ABCB1 (ATP-dependent translocase), and CD40 (Tumor necrosis factor receptor superfamily member 5), among 28 other proteins.

Tebufenpyrad is identified in nine recorded sources. In agriculture and land management, it is used as a pesticide. Other sources include drinking water and water supply; food, food processing and cookware, specifically the preparation of malt and the treatment of molasses; building and construction materials such as floors and fencing; household items including watch chains and badges; and electrical and electronic equipment such as antennas. Recorded exposure routes for the compound include oral, inhalation, and touch.</description>
  <cas>119168-77-3</cas>
  <pubchem-id>86354</pubchem-id>
  <chemical-formula>C18H24ClN3O</chemical-formula>
  <weight>333.9</weight>
  <appearance>White powder.</appearance>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:54Z</created-at>
  <updated-at type="dateTime">2026-08-20T00:59:08Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11126</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>9422</chebi-id>
  <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>CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl</moldb-smiles>
  <moldb-formula>C18H24ClN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)</moldb-inchi>
  <moldb-inchikey>ZZYSLNWGKKDOML-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">333.856</moldb-average-mass>
  <moldb-mono-mass type="decimal">333.160790112</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>4.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1897070</chembl-id>
  <chemspider-id>77872</chemspider-id>
  <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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002887</chemdb-id>
  <dsstox-id>DTXSID0034223</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000189</susdat-id>
  <iupac>N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide</iupac>
  <moldb-polar-surface-area>46.92</moldb-polar-surface-area>
  <moldb-refractivity>106.1157</moldb-refractivity>
  <moldb-polarizability>37.81696970596745</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>13.318155492347291</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>1.630586580090282</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.56</moldb-alogps-logp>
  <moldb-alogps-logs>-4.62</moldb-alogps-logs>
  <moldb-alogps-solubility>8.10e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylpropanes</subklass>
  <paper-count type="integer">72</paper-count>
  <sync-id>CED0013405</sync-id>
  <structure-inchikey>ZZYSLNWGKKDOML-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000800000002000000000000000000204000000000000010000000002000200000000000000002000a00000000000000000000002000000000000000000400000000000000000022020000000000000000000000000000000000000010400000000000400000000040000000100000000000000000010000000000040000000000040000000004080000000000000000000000200000000000000000000001000000000080000000040000000000000000000000000000000000800040000000004000000000000400010000000000000000220000000000100000000000000000040000040000400000000880000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC
AgZAKAAAAAMEB0AoAAAAAwMHQCgAAAADAwYAYAAAAAEDBkAoAAAAAwQGACgA
AAADBAgAKAAAAAMCBwBoAAAAAwIBBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMD
AQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBgAgAAAABAYA
YAAAAAEDBgBgAAAAAQMGAGAAAAABAwZAKAAAAAMEEQAgAAAAAQsAAQABAgAC
A2gMAwRoDAQFAAQGaAwGByAHCCgCBwkgCQoACgsACwxoDAwNaAwNDmgMDg9o
DA8QaAwOEQAREgAREwARFAAGFWgMFRYAFQJoDBALaAxCAgAAAAUCAwQGFQYM
DQ4PEAsXBAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:01Z</structure-indexed-at>
</compound>
