Tetraniliprole
| PubChem CID | 56602311 |
| Molecular Formula | C22H16ClF3N10O2 |
| Structure |
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| Synonyms |
Tetraniliprole
1229654-66-3 Tetraniliprole [ISO] Z9539O2TDL 2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide 1-(3-Chloropyridin-2-yl)-N-(4-cyano-2-methyl-6-(methylcarbamoyl)phenyl)-3-((5-(trifluoromethyl)-2H-tetrazol-2-yl)methyl)-1H-pyrazole-5-carboxamide 1H-Pyrazole-5-carboxamide, 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]-3-[[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl]- 1-(3-Chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-(methylcarbamoyl)phenyl)-3-((5-(trifluoromethyl)-2H-tetrazol-2-yl)methyl)-1H-pyrazole-5-carboxamide 1H-Pyrazole-5-carboxamide, 1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-((methylamino)carbonyl)phenyl)-3-((5-(trifluoromethyl)-2H-tetrazol-2-yl)methyl)- UNII-Z9539O2TDL 1-(3-Chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-((methylamino)carbonyl)phenyl)-3-((5-(trifluoromethyl)-2H-tetrazol-2-yl)methyl)-1H-pyrazole-5-carboxamide 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]-3-[[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl]-1H-pyrazole-5-carboxamide 1-(3-Chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]-3-[[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl]-1H-pyrazole-5-carboxamide; 1-(3-Chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl]-1H-pyrazole-5-carboxamide 1-(3-Chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-methylcarbamoyl-3-((5-(trifluoromethyl)-2H-tetrazol-2-yl)methyl)pyrazole-5-carboxanilide 1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-methylcarbamoyl-3-{[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl}pyrazole-5-carboxanilide 1-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-{[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl}-1H-pyrazole-5-carboxamide SCHEMBL798149 DTXSID40894829 CHEBI:132355 KNDVJPKNBVIKML-UHFFFAOYSA-N 1ST20830-100M Tetraniliprole 100 microg/mL in Acetonitrile E77273 Q27225543 Tetraniliprole Solution in Methanol, 100mug/mL; Tetraniliprole [ISO]; 1-(3-Chloropyridin-2-yl)-N-(4-cyano-2-methyl-6-(methylcarbamoyl)phenyl)-3-((5-(trifluoromethyl)-2H-tetrazol-2-yl)methyl)-1H-pyrazole-5-carboxamide |
Computed Descriptors
| IUPAC Name | 2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide |
| SMILES | CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)CN4N=C(N=N4)C(F)(F)F)C(=O)NC)C#N |
| Canonical SMILES | CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)CN4N=C(N=N4)C(F)(F)F)C(=O)NC)C#N |
| InChI | InChI=1S/C22H16ClF3N10O2/c1-11-6-12(9-27)7-14(19(37)28-2)17(11)30-20(38)16-8-13(10-35-33-21(31-34-35)22(24,25)26)32-36(16)18-15(23)4-3-5-29-18/h3-8H,10H2,1-2H3,(H,28,37)(H,30,38) |
| InChIKey | KNDVJPKNBVIKML-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 544.9 g/mol |
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 544.11 |
| Monoisotopic Mass | 544.11 |
| Topological Polar Surface Area | 156 |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 920 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
4 pairs of Verified P450 and Tetraniliprole
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Spodoptera frugiperda | CYP340AX8V2 | R | |
| Spodoptera frugiperda | CYP340L16 | R | |
| Spodoptera frugiperda | CYP341B17V2 | R | |
| Spodoptera frugiperda | CYP9A75 | R |