IUPAC name
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(difluoromethyl)thio]-5-[(2-pyridinylmethyl)amino]-1H-pyrazole-3-carbonitrile
SMILES
c1ccnc(c1)CNc1c(c(C#N)nn1c1c(cc(cc1Cl)C(F)(F)F)Cl)SC(F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
pyriprole
IUPAC name
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(difluoromethyl)thio]-5-[(2-pyridinylmethyl)amino]-1H-pyrazole-3-carbonitrile
SMILES
c1ccnc(c1)CNc1c(c(C#N)nn1c1c(cc(cc1Cl)C(F)(F)F)Cl)SC(F)F
INCHI
InChI=1S/C18H10Cl2F5N5S/c19-11-5-9(18(23,24)25)6-12(20)14(11)30-16(28-8-10-3-1-2-4-27-10)15(31-17(21)22)13(7-26)29-30/h1-6,17,28H,8H2
FORMULA
C18H10Cl2F5N5S
Common name
pyriprole
IUPAC name
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(difluoromethyl)thio]-5-[(2-pyridinylmethyl)amino]-1H-pyrazole-3-carbonitrile
Molecular weight
494.269
clogP
5.437
clogS
-7.371
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
91.83
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00361 | 2-methylpyridine |
|
n1c(cccc1)C | 0.0058 |
| FDBF00370 | difluoromethane |
|
FCF | 0.0151 |
| FDBF05053 | 2-(2,6-dichlorophenyl)-1H-pyrazol-2-ium-5-carbonitrile |
|
Clc1cccc(Cl)c1-n1ccc([nH]1)C#N | 0.0014 |
| FDBF05055 | 2-(2,6-dichlorophenyl)-3-(methylamino)-1H-pyrazol-2-ium-5-carbonitrile |
|
CNc1cc([nH]n1-c1c(Cl)cccc1Cl)C#N | 0.0010 |
| FDBF05432 | difluoromethanethiol |
|
SC(F)F | 0.0007 |
| FDBF05433 | pyridin-2-ylmethanamine |
|
c1cc(ncc1)CN | 0.0003 |
9 ,
1
