≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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.
| Sonrisas canónicas | CC(=O)NC1=C2NC(=CC(=O)N2NC1=O)C3=CC(=CC=C3)Cl |
|---|---|
| IUPAC Name | N-[5-(3-chlorophenyl)-2,7-dioxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-3-yl]acetamide |
| InChIKey | MTHMIUYBZDSMHI-UHFFFAOYSA-N |
| INCHI | 1S/C14H11ClN4O3/c1-7(20)16-12-13-17-10(8-3-2-4-9(15)5-8)6-11(21)19(13)18-14(12)22/h2-6,17H,1H3,(H,16,20)(H,18,22) |
| Peso molecular | 318.710 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | N-acetylarylamines Pyrazolo[1,5-a]pyrimidines Chlorobenzenes Pyrimidones Pyrazolones Aryl chlorides Pyrazoles Vinylogous amides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyrimidine - 5-phenylpyrimidine - N-acetylarylamine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Acetamide - Vinylogous amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 318.710 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 318.052 Da |
| Monoisotopic Mass | 318.052 Da |
| Topological Polar Surface Area | 90.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 613.000 |
| 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-(5-(3-Chlorophenyl)-2,7-dioxo-1,2,4,7-tetrahydropyrazolo[1,5-A]pyrimidin-3-YL)acetamide - ≥95% , CAS No.1257440-43-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)