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Common name


tebufenpyrad

Formula


C18H24ClN3O

CAS


119168-77-3

IUPAC name


4-chloro-N-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide

SMILES


CCc1c(c(C(=O)NCc2ccc(cc2)C(C)(C)C)n(C)n1)Cl

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)

Physicochemical Properties

Molecular weight:

333.856

Molar refractivity:

57.601

Num. bonds:

24

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

23

Num. nitrogen atom:

3

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

70.05

Lipophilicity

ALogP:

1.136

MLogP:

2.89

XLogP:

6.059

Water Solubility

CLogS:

-5.703

Geometric

PPSA-1:

514.119

PNSA-1:

213.127

RPCS:

2.12

RNCS:

5.879

THSA:

670.019

TPSA:

57.228

RHSA:

0.921

RPSA:

0.079

Electrostatic

RPCG:

0.143

RNCG:

0.175

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

13

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

37.79
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.401

QEI:

0.735

Gau:

5.954