≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C |
|---|---|
| IUPAC Name | 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide |
| InChIKey | GOFJDXZZHFNFLV-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C |
| Alternate CAS | 494793-67-8 |
| PubChem CID | 11674113 |
| MeSH Entry Terms | 2'-((RS)-1,3-dimethylbutyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide;penflufen |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Pyrazole-4-carboxamides Aryl fluorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Pyrazole-4-carboxamide - Aryl fluoride - Aryl halide - Azole - Pyrazole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | organofluorine compound - pyrazoles - aromatic amide |
| Molecular Weight | 317.400 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 317.19 Da |
| Monoisotopic Mass | 317.19 Da |
| Topological Polar Surface Area | 46.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
