≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CCOC(=O)C1=C(N2C(=C(C=N2)C(=O)OCC)N=C1)N |
|---|---|
| IUPAC Name | diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate |
| InChIKey | NXFDIPGZEWOPDX-UHFFFAOYSA-N |
| INCHI | 1S/C12H14N4O4/c1-3-19-11(17)7-5-14-10-8(12(18)20-4-2)6-15-16(10)9(7)13/h5-6H,3-4,13H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1=C(N2C(=C(C=N2)C(=O)OCC)N=C1)N |
| PubChem CID | 2816389 |
| Molecular Weight | 278.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Pyrimidinecarboxylic acids Pyrazole carboxylic acids and derivatives Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrazole-4-carboxylic acid or derivatives - Aminopyrimidine - Dicarboxylic acid or derivatives - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 278.260 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 278.102 Da |
| Monoisotopic Mass | 278.102 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 378.000 |
| 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 |
