IUPAC name
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methyl-2-propen-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
SMILES
C=C(C)CNc1c(c(C#N)nn1c1c(cc(cc1Cl)C(F)(F)F)Cl)S(=O)C(F)(F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
flufiprole
IUPAC name
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methyl-2-propen-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
SMILES
C=C(C)CNc1c(c(C#N)nn1c1c(cc(cc1Cl)C(F)(F)F)Cl)S(=O)C(F)(F)F
INCHI
InChI=1S/C16H10Cl2F6N4OS/c1-7(2)6-26-14-13(30(29)16(22,23)24)11(5-25)27-28(14)12-9(17)3-8(4-10(12)18)15(19,20)21/h3-4,26H,1,6H2,2H3
FORMULA
C16H10Cl2F6N4OS
Common name
flufiprole
IUPAC name
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methyl-2-propen-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
Molecular weight
491.238
clogP
4.430
clogS
-6.855
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
70.71
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF01488 | 2-methylprop-1-ene |
|
C=C(C)C | 0.0131 |
| FDBF05001 | trifluoro(hydroxysulfanyl)methane |
|
S(O)C(F)(F)F | 0.0007 |
| FDBF05053 | 2-(2,6-dichlorophenyl)-1H-pyrazol-2-ium-5-carbonitrile |
|
Clc1cccc(Cl)c1-n1ccc([nH]1)C#N | 0.0014 |
| FDBF05054 | 2-methylprop-2-en-1-amine |
|
NCC(=C)C | 0.0010 |
| FDBF05055 | 2-(2,6-dichlorophenyl)-3-(methylamino)-1H-pyrazol-2-ium-5-carbonitrile |
|
CNc1cc([nH]n1-c1c(Cl)cccc1Cl)C#N | 0.0010 |
8 ,
1
