1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(METHYLSULFINYL)-5-(2,2,2-TRICHLORO-1-PROPOXYETHYLAMINO)-1H-PYRAZOLE-3-CARBONITRILE

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key WWYXLBWYJLDNSU-UHFFFAOYSA-N
Smiles CCCOC(Nc1c([S+](C)[O-])c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)C(Cl)(Cl)Cl
InChI
InChI=1S/C17H14Cl5F3N4O2S/c1-3-4-31-15(16(20,21)22)27-14-13(32(2)30)11(7-26)28-29(14)12-9(18)5-8(6-10(12)19)17(23,24)25/h5-6,15,27H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14Cl5F3N4O2S
Molecular Weight 572.64
AlogP 6.85
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 99.15
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 32.0
Assay Description Organism Bioactivity Reference
Ratio of LC50 of ethiprole to LC50 of test compound against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 4.3
Insecticidal activity against Mythimna separata (Oriental armyworm) grown on compound pre-treated corn leaves assessed as insect mortality at 200 mg/kg measured 3 days post compound treatment by leaf-dip method Mythimna separata 40.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) grown on compound pre-treated fresh cabbage leaves assessed as insect mortality at 2.5 mg/kg measured 3 days post compound treatment by leaf-dip method Plutella xylostella 0.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) grown on compound pre-treated fresh cabbage leaves assessed as insect mortality at 5 mg/kg measured 3 days post compound treatment by leaf-dip method Plutella xylostella 30.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) grown on compound pre-treated fresh cabbage leaves assessed as insect mortality at 10 mg/kg measured 3 days post compound treatment by leaf-dip method Plutella xylostella 71.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) grown on compound pre-treated fresh cabbage leaves assessed as insect mortality at 25 mg/kg measured 3 days post compound treatment by leaf-dip method Plutella xylostella 100.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) grown on compound pre-treated fresh cabbage leaves assessed as insect mortality at 50 mg/kg measured 3 days post compound treatment by leaf-dip method Plutella xylostella 100.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) grown on compound pre-treated fresh cabbage leaves assessed as insect mortality at 100 mg/kg measured 3 days post compound treatment by leaf-dip method Plutella xylostella 100.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) grown on compound pre-treated fresh cabbage leaves assessed as insect mortality at 200 mg/kg measured 3 days post compound treatment by leaf-dip method Plutella xylostella 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as insect mortality at 25 ug/kg measured 1 day post compound treatment Culex pipiens pallens 50.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as insect mortality at 50 ug/kg measured 1 day post compound treatment Culex pipiens pallens 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as insect mortality at 100 ug/kg measured 1 day post compound treatment Culex pipiens pallens 100.0 %
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 2.76 mg kg-1
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to 2.5 mg/kg test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 0.0 %
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to 5 mg/kg test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 91.0 %
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to 10 mg/kg test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 100.0 %
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to 25 mg/kg test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 100.0 %
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to 50 mg/kg test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 100.0 %
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to 100 mg/kg test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 100.0 %
Insecticidal activity against Aphis craccivora (cowpea aphid) infested tender soybean shoots exposed to 200 mg/kg test compound solution assessed as insect mortality measured 24 hr post compound treatment Aphis craccivora 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2228929
PubChem 46910351
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