≥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.
| Canonical Smiles | CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)OC(C)(C)C)C(=N1)N |
|---|---|
| IUPAC Name | 5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-1,5-dicarboxylate |
| InChIKey | IJRZSSYHHCGXMC-UHFFFAOYSA-N |
| INCHI | 1S/C15H24N4O4/c1-7-22-13(21)19-10-9(11(16)17-19)8-18(15(10,5)6)12(20)23-14(2,3)4/h7-8H2,1-6H3,(H2,16,17) |
| Isomeric SMILES | CCOC(=O)N1C2=C(CN(C2(C)C)C(=O)OC(C)(C)C)C(=N1)N |
| Alternate CAS | 718632-47-4 |
| PubChem CID | 57353085 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyrazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyrazoles |
| Alternative Parents | Pyrazole carboxylic acids and derivatives Imidolactams Pyrroles Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazole-1-carboxylic acid or derivatives - Pyrrolopyrazole - Imidolactam - Azole - Pyrazole - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyrazoles. These are polycyclic aromatic compounds containing a pyrrole fused to a pyrazole ring. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazole is a 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. |
| External Descriptors | Not available |
| Molecular Weight | 324.380 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 324.18 Da |
| Monoisotopic Mass | 324.18 Da |
| Topological Polar Surface Area | 99.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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 1-Ethyl 3-Amino-6，6-Dimethylpyrrolo[3，4-C]Pyrazole-1，5(4H，6H)-Dicarboxylate - ≥95% CAS No(718632-47-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/7/T734123.jpg)