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.
| ALogP | 2.9 |
|---|
| Sonrisas canónicas | CC1=C(C2=NC(=C(C(=O)N2N1)Cl)C)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 6-chloro-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChIKey | AOKGMYFPEKZWSQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H12ClN3O/c1-8-11(10-6-4-3-5-7-10)13-16-9(2)12(15)14(19)18(13)17-8/h3-7,17H,1-2H3 |
| Isómeros SMILES | CC1=C(C2=NC(=C(C(=O)N2N1)Cl)C)C3=CC=CC=C3 |
| PubChem CID | 1855778 |
| Peso molecular | 273.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolo[1,5-a]pyrimidines Pyrimidones Halopyrimidines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 273.720 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 273.067 Da |
| Monoisotopic Mass | 273.067 Da |
| Topological Polar Surface Area | 44.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 527.000 |
| 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 |
![6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one - CAS No(879457-80-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/6/C668660.jpg)