| Catalog Number | ACM494793678 |
| CAS | 494793-67-8 |
| IUPAC Name | 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide |
| Synonyms | Penflufen;494793-67-8;5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide;Pyflufen;Penflufen, (+/-)-;Emesto;N-[2-(1,3-dimethylbutyl)phenyl]-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide;SCHEMBL69448;DTXSID9058107;CHEBI:83134;5-Fluoro-1,3-dimethyl-N-(2-(1,3-dimethylbutyl)phenyl)-1H-pyrazole-4-carboxamide;N-(2-(1,3-Dimethylbutyl)phenyl)-1,3-dimethyl-5-fluoro-1H-pyrazole-4-carboxamide;Penflufen, PESTANAL(R), analytical standard;Q16736519;2'-((RS)-1,3-dimethylbutyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide;5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide |
| Molecular Weight | 317.4g/mol |
| Molecular Formula | C18H24FN3O |
| Canonical SMILES | CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C |
| InChI | InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23) |
| InChI Key | GOFJDXZZHFNFLV-UHFFFAOYSA-N |
| Complexity | 404 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 317.19034056g/mol |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Monoisotopic Mass | 317.19034056g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.9Ų |
| X Log P3 | 4.4 |