IUPAC name
4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILES
CCc1c(c(C(=O)NCc2ccc(cc2)Oc2ccc(C)cc2)n(C)n1)Cl
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
tolfenpyrad
IUPAC name
4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILES
CCc1c(c(C(=O)NCc2ccc(cc2)Oc2ccc(C)cc2)n(C)n1)Cl
INCHI
InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
FORMULA
C21H22ClN3O2
Common name
tolfenpyrad
IUPAC name
4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
Molecular weight
383.871
clogP
4.585
clogS
-6.497
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
56.15
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00182 | N-benzylformamide |
|
c1(ccccc1)CNC=O | 0.0038 |
| FDBF00946 | N-[(4-hydroxyphenyl)methyl]formamide |
|
c1(ccc(cc1)O)CNC=O | 0.0017 |
12 ,
2
