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Tebufenpyrad

CAT: 0013-GTR19159776-02Size: 1 gDry Ice: NoHazardous: No
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Description
Tebufenpyrad is an acaricide and insecticide widely used in greenhouses. It is commonly used to control populations of mites and ticks.
CAS Number
119168-77-3
Product Name Alternative
Tebufenpyrad | Pyranica | MK-239
Purity
>98% (HPLC)
Smiles
CCc1nn (C) c (C (=O) NCc2ccc (cc2) C (C) (C) C) c1Cl
Molecular Formula
C18H24ClN3O
Molecular Weight
333.86
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4-Chloro-N- ((4- (1,1-dimethylethyl) phenyl) methyl) -3-ethyl-1-methyl-1H-pyrazole-5-carboxamide

Chemical Information

Tebufenpyrad

Tebufenpyrad is a pyrazole insecticide and a pyrazole acaricide. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor.

CAS Number119168-77-3
PubChem CID86354
IUPAC NameN-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
Molecular FormulaC18H24ClN3O
Molecular Weight333.9
XLogP4.5
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity402
SMILES
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C
InChI
InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
InChIKey
ZZYSLNWGKKDOML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tebufenpyrad
CAS: 119168-77-3
CID: 86354
Formula: C18H24ClN3O
MW: 333.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.9
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass333.1607901
Monoisotopic Mass333.1607901
Topological Polar Surface Area46.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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