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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CSC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)Cl)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| InChIKey | ASFJZWFKFXWXJJ-UHFFFAOYSA-N |
| INCHI | 1S/C24H13ClF3N5O4S/c25-13-3-5-16(6-4-13)37-17-9-14(8-15(10-17)33(35)36)29-23(34)19-12-22-30-18(20-2-1-7-38-20)11-21(24(26,27)28)32(22)31-19/h1-12H,(H,29,34) |
| Peso molecular | 559.900 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Diphenylethers Diarylethers Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines Nitrobenzenes 2-heteroaryl carboxamides Nitroaromatic compounds Pyrazole-5-carboxamides Phenol ethers Phenoxy compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organochlorides Organic zwitterions Organic oxides Alkyl fluorides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - Diphenylether - Diaryl ether - Nitrobenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Phenoxy compound - Nitroaromatic compound - Phenol ether - Pyrazole-5-carboxamide - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Thiophene - C-nitro compound - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organohalogen compound - Alkyl halide - Organochloride - Organic nitrogen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | 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 | Not available |
| Peso molecular | 559.900 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 559.033 Da |
| Monoisotopic Mass | 559.033 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 862.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide , CAS No.314049-15-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)