≥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 | CCOC(=O)C1=C(C=NC2=C(C=NN12)C#N)CCCO |
|---|---|
| IUPAC Name | ethyl 3-cyano-6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate |
| InChIKey | VEOCHIUEUYGKIG-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N4O3/c1-2-20-13(19)11-9(4-3-5-18)7-15-12-10(6-14)8-16-17(11)12/h7-8,18H,2-5H2,1H3 |
| Isómeros SMILES | CCOC(=O)C1=C(C=NC2=C(C=NN12)C#N)CCCO |
| PubChem CID | 39870380 |
| Peso molecular | 274.27 |
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 | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Pyrimidinecarboxylic acids Pyrazoles Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Alcohol - 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 | 274.280 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 274.107 Da |
| Monoisotopic Mass | 274.107 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 394.000 |
| 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 |
![Ethyl 3-cyano-6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate - ≥95% , CAS No.1111447-30-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)