9402 <common-name>Tolfenpyrad</common-name> <description nil="true"/> <cas>129558-76-5</cas> <pubchem-id>10110536</pubchem-id> <chemical-formula>C21H22ClN3O2</chemical-formula> <weight>383.9</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">2016-05-19T02:43:07Z</created-at> <updated-at type="dateTime">2026-08-21T18:44:30Z</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>CCC1=NN(C)C(C(=O)NCC2=CC=C(OC3=CC=C(C)C=C3)C=C2)=C1Cl</moldb-smiles> <moldb-formula>C21H22ClN3O2</moldb-formula> <moldb-inchi>InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)</moldb-inchi> <moldb-inchikey>WPALTCMYPARVNV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">383.88</moldb-average-mass> <moldb-mono-mass type="decimal">383.1400547</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8286062</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 nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM008297</chemdb-id> <dsstox-id>DTXSID6057952</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001336</susdat-id> <iupac>4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide</iupac> <moldb-polar-surface-area>56.150000000000006</moldb-polar-surface-area> <moldb-refractivity>118.73179999999999</moldb-refractivity> <moldb-polarizability>40.93988100041594</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.34010734482679</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.6305886705870303</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>4.80</moldb-alogps-logp> <moldb-alogps-logs>-5.16</moldb-alogps-logs> <moldb-alogps-solubility>2.63e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylethers</subklass> </compound>