N-(4-TERT-BUTYLBENZYL)-2,6-DIMETHYL-2,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-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 BQEMKYJJYVNLQD-UHFFFAOYSA-N
Smiles CC1CCc2c1nn(C)c2C(=O)NCc3ccc(cc3)C(C)(C)C
InChI
InChI=1S/C20H27N3O/c1-13-6-11-16-17(13)22-23(5)18(16)19(24)21-12-14-7-9-15(10-8-14)20(2,3)4/h7-10,13H,6,11-12H2,1-5H3,(H,21,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27N3O
Molecular Weight 325.45
AlogP 4.49
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against Tetranychus urticae (two-spotted spider mite) assessed as mortality at 3.1 ppm Tetranychus urticae 100.0 %
Insecticidal activity against Tetranychus urticae (two-spotted spider mite) assessed as mortality at 12.5 ppm Tetranychus urticae 100.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) third-instar larvae in compound treated cabbage leaf assessed as mortality at 0.8 ppm measured after 4 days Plutella xylostella None
Insecticidal activity against Plutella xylostella (diamondback moth) third-instar larvae in compound treated cabbage leaf assessed as mortality at 3.1 ppm measured after 4 days Plutella xylostella None
Insecticidal activity against Plutella xylostella (diamondback moth) third-instar larvae in compound treated cabbage leaf assessed as mortality at 12.5 ppm measured after 4 days Plutella xylostella 0.0 %
Insecticidal activity against Myzus persicae (green peach aphid) assessed as mortality at 0.8 ppm measured after 4 days Myzus persicae None
Insecticidal activity against Myzus persicae (green peach aphid) assessed as mortality at 3.1 ppm measured after 4 days Myzus persicae None
Insecticidal activity against Myzus persicae (green peach aphid) assessed as mortality at 12.5 ppm measured after 4 days Myzus persicae 0.0 %
Insecticidal activity against Nilaparvata lugens (brown planthopper) third-instar larvae assessed as mortality at 0.8 ppm applied through spray measured after 5 days Nilaparvata lugens None
Insecticidal activity against Nilaparvata lugens (brown planthopper) third-instar larvae assessed as mortality at 3.1 ppm applied through spray measured after 5 days Nilaparvata lugens None
Insecticidal activity against Nilaparvata lugens (brown planthopper) third-instar larvae assessed as mortality at 12.5 ppm applied through spray measured after 5 days Nilaparvata lugens 0.0 %
Insecticidal activity against green rice Nephotettix cincticeps (green rice leafhopper) third-instar larvae assessed as mortality at 0.8 ppm applied through spray measured after 4 days Nephotettix cincticeps None
Insecticidal activity against green rice Nephotettix cincticeps (green rice leafhopper) third-instar larvae assessed as mortality at 3.1 ppm applied through spray measured after 4 days Nephotettix cincticeps None
Insecticidal activity against green rice Nephotettix cincticeps (green rice leafhopper) third-instar larvae assessed as mortality at 12.5 ppm applied through spray measured after 4 days Nephotettix cincticeps 30.0 %
Ovicidal activity against Panonychus citri eggs laid on compound-treated mandarian orange measured after 7 days Panonychus citri 6.3 ppm
Adulticidal activity against adult Panonychus citri infested mandarian orange after 2 days Panonychus citri 0.42 ppm
Ovicidal activity against Tetranychus urticae (two-spotted spider mite) eggs laid on compound-treated kidney bean leaf disk measured after 7 days Tetranychus urticae 1.7 ppm
Adulticidal activity against adult Tetranychus urticae (two-spotted spider mite) infested kidney bean leaf disk after 2 days Tetranychus urticae 2.1 ppm
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaf assessed as mortality at 3.1 ppm after 5 days Tetranychus urticae 3.0 %
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaf assessed as mortality at 12.5 ppm after 5 days Tetranychus urticae 3.0 %
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaf assessed as mortality at 50 ppm after 5 days Tetranychus urticae 3.0 %
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaf assessed as mortality at 200 ppm after 5 days Tetranychus urticae 3.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2287577
CONTENTS