isolan

Identification (Source:EPA,EU)

ID 1353
Name isolan
CAS 119-38-0
IUPAC 1-isopropyl-3-methylpyrazol-5-yl dimethylcarbamate
Inchi InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3
CIPAC 104
EPA Code 511500
Formula C10H17N3O2
SMILES n1(c(cc(n1)C)OC(N(C)C)=O)C(C)C
Status Not Approved

Classification

Mode of Action Acetylcholine esterase inhibitor
Pesticide Type Insecticide, Fumigant
Chemical Group Carbamate
Classification dimethylcarbamate insecticides
pyrazole insecticides

Properties (Source:PubChem)

Molecular Weight C10H17N3O2
Physical State Colourless liquid
AlogP 1.582
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 236.37
Polar Surface Area 47.36

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Aquatic invertebrates Acute 48 hour EC50 0.0125 mg l-1
Fish Acute 96 hour LC50 > 10.70 mg l-1
Mammals Acute oral LD50 > 10.8 mg kg-1

Related targets

Target Name RScore (About this table)
Ki 67 11(0,0,0,11) Details
BDNF 5(0,0,0,5) Details
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