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 MULDAQREHBMAIX-UHFFFAOYSA-N
Smiles CCc1cc(C(=O)NC(CCl)c2ccc(Oc3ccccc3)cc2)n(C)n1
InChI
InChI=1S/C21H22ClN3O2/c1-3-16-13-20(25(2)24-16)21(26)23-19(14-22)15-9-11-18(12-10-15)27-17-7-5-4-6-8-17/h4-13,19H,3,14H2,1-2H3,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22ClN3O2
Molecular Weight 383.87
AlogP 4.77
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 27.0
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 40.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 11 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 0.0 %
Stomach toxicity against Plutella xylostella (diamondback moth) assessed as larvicidal activity at 600 mg/kg by leaf dip method Plutella xylostella 45.0 %
Stomach toxicity against Plutella xylostella (diamondback moth) assessed as larvicidal activity at 200 mg/kg by leaf dip method Plutella xylostella 30.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) eggs at 600 mg/kg by leaf dip method Tetranychus cinnabarinus 50.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) eggs at 200 mg/kg by leaf dip method Tetranychus cinnabarinus 40.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) adults at 600 mg/kg by leaf dip method Tetranychus cinnabarinus 50.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) adults at 200 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 40.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) larvae at 200 mg/kg by leaf dip method Tetranychus cinnabarinus 30.0 %
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 95.0 %
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 100.0 %
Larvicidal activity against Culex pipiens pallens (mosquito) at 0.5 mg/kg Culex pipiens pallens 60.0 %
Larvicidal activity against Culex pipiens pallens (mosquito) Culex pipiens pallens 0.35 mg kg-1

Cross References

Resources Reference
ChEMBL CHEMBL2228990
PubChem 56965282
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