≥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=C2CN(CCN2N=C1)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate |
| InChIKey | CXWBUPNZOYLFSY-UHFFFAOYSA-N |
| INCHI | 1S/C14H21N3O4/c1-5-20-12(18)10-8-15-17-7-6-16(9-11(10)17)13(19)21-14(2,3)4/h8H,5-7,9H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C1=C2CN(CCN2N=C1)C(=O)OC(C)(C)C |
| PubChem CID | 77058992 |
| Molecular Weight | 295.34 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazole carboxylic acids and derivatives |
| Alternative Parents | Vinylogous amides Heteroaromatic compounds Carbamate esters Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazole-4-carboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 295.330 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 295.153 Da |
| Monoisotopic Mass | 295.153 Da |
| Topological Polar Surface Area | 73.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |
![5-tert-butyl 3-ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate - ≥97% , CAS No.1286753-88-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)