| CAS Number | 1820603-32-4 |
| Catalog Number | AG00I0FJ(AGN-PC-0WOCB1) |
| Chemical Name | Methyl 5-BOC-6-methyl-4-oxo-6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate |
| IUPAC Name | 5-O-tert-butyl 2-O-methyl 6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5-dicarboxylate |
| InChI | InChI=1S/C14H19N3O5/c1-8-7-16-10(6-9(15-16)12(19)21-5)11(18)17(8)13(20)22-14(2,3)4/h6,8H,7H2,1-5H3 |
| InChI Key | AGPBTSZUEHSFNN-UHFFFAOYSA-N |
| MDL Number | MFCD28166389 |
| Molecular Formula | C14H19N3O5 |
| Molecular Weight | 309.3178 |
| SMILES | COC(=O)c1nn2c(c1)C(=O)N(C(C2)C)C(=O)OC(C)(C)C |
| Synonyms | 1820603-32-4,
Methyl 5-BOC-6-methyl-4-oxo-6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate,
5-tert-Butyl 2-methyl 6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylate,
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| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.322g/mol |
| Monoisotopic Mass | 309.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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