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
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
tebufenpyrad
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)
FORMULA
C18H24ClN3O
Common name
tebufenpyrad
IUPAC name
4-chloro-N-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
Molecular weight
333.856
clogP
4.243
clogS
-5.703
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
46.92
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00182 | N-benzylformamide |
|
c1(ccccc1)CNC=O | 0.0038 |
| FDBF05503 | N-[(4-tert-butylphenyl)methyl]formamide |
|
C(=O)NCc1ccc(cc1)C(C)(C)C | 0.0003 |
11 ,
2
