4-CHLORO-N-(2-CHLORO-1-(4-PHENOXYPHENYL)ETHYL)-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE

/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 VKRZGTXOLBXZCX-UHFFFAOYSA-N
Smiles CCc1nn(C)c(C(=O)NC(CCl)c2ccc(Oc3ccccc3)cc2)c1Cl
InChI
InChI=1S/C21H21Cl2N3O2/c1-3-17-19(23)20(26(2)25-17)21(27)24-18(13-22)14-9-11-16(12-10-14)28-15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3,(H,24,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21Cl2N3O2
Molecular Weight 418.32
AlogP 5.43
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 56.15
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0
Assay Description Organism Bioactivity Reference
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 110 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 55 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 22 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 11 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 80.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 5.5 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 40.0 %
Stomach toxicity against Plutella xylostella (diamondback moth) assessed as larvicidal activity at 600 mg/kg by leaf dip method Plutella xylostella 90.0 %
Stomach toxicity against Plutella xylostella (diamondback moth) assessed as larvicidal activity at 200 mg/kg by leaf dip method Plutella xylostella 60.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) eggs at 600 mg/kg by leaf dip method Tetranychus cinnabarinus 20.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) eggs at 200 mg/kg by leaf dip method Tetranychus cinnabarinus 0.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) adults at 600 mg/kg by leaf dip method Tetranychus cinnabarinus 0.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) larvae at 600 mg/kg by leaf dip method Tetranychus cinnabarinus 30.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) larvae at 200 mg/kg by leaf dip method Tetranychus cinnabarinus 20.0 %
Larvicidal activity against Aphis craccivora (cowpea aphid) at 600 mg/kg by leaf dip method Aphis craccivora 100.0 %
Larvicidal activity against Aphis craccivora (cowpea aphid) at 200 mg/kg by leaf dip method Aphis craccivora 80.0 %
Larvicidal activity against Culex pipiens pallens (mosquito) at 5 mg/kg Culex pipiens pallens 100.0 %
Larvicidal activity against Culex pipiens pallens (mosquito) at 2 mg/kg Culex pipiens pallens 100.0 %
Larvicidal activity against Culex pipiens pallens (mosquito) at 1 mg/kg Culex pipiens pallens 60.0 %
Larvicidal activity against Culex pipiens pallens (mosquito) at 0.5 mg/kg Culex pipiens pallens 0.0 %
Antifeedant activity against Plutella xylostella (diamondback moth) at 200 to 600 mg/kg by leaf dip method Plutella xylostella None

Cross References

Resources Reference
ChEMBL CHEMBL2228978
PubChem 56965077
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