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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.
| Sonrisas canónicas | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=C(C(=O)N4N3)C)C)C |
|---|---|
| IUPAC Name | 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChIKey | CFVUZMNKINECPV-UHFFFAOYSA-N |
| INCHI | 1S/C18H18N4OS/c1-10-5-6-11(2)21(10)15-7-8-24-17(15)14-9-16-19-13(4)12(3)18(23)22(16)20-14/h5-9,20H,1-4H3 |
| Isómeros SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=C(C(=O)N4N3)C)C)C |
| PubChem CID | 1485046 |
| Peso molecular | 338.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Pyrimidones Substituted pyrroles Thiophenes Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Pyrimidone - Pyrimidine - Substituted pyrrole - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Pyrrole - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Peso molecular | 338.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 338.12 Da |
| Monoisotopic Mass | 338.12 Da |
| Topological Polar Surface Area | 77.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 658.000 |
| 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 |
![2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-ol , CAS No.478077-97-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)