| CAS Number | 1422344-18-0 |
| Catalog Number | AG00HWER(AGN-PC-0WG4SU) |
| Chemical Name | 5-tert-butyl 3-ethyl 2-methyl-4H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate |
| IUPAC Name | 5-O-tert-butyl 3-O-ethyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3,5-dicarboxylate |
| InChI | InChI=1S/C14H21N3O4/c1-6-20-12(18)11-9-7-17(8-10(9)15-16(11)5)13(19)21-14(2,3)4/h6-8H2,1-5H3 |
| InChI Key | ALLVPNWWSHJSJT-UHFFFAOYSA-N |
| MDL Number | MFCD23378339 |
| Molecular Formula | C14H21N3O4 |
| Molecular Weight | 295.3342 |
| SMILES | CCOC(=O)c1c2CN(Cc2nn1C)C(=O)OC(C)(C)C |
| Synonyms | 1422344-18-0,
5-tert-Butyl 3-ethyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(2H)-dicarboxylate,
5-tert-butyl 3-ethyl 2-methyl-4H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate,
2-Methyl-2,6-Dihydro-4H-Pyrrolo[3,4-C]Pyrazole-3,5-Dicarboxylic Acid 5-Tert-Butyl Ester 3-Ethyl Ester,
MFCD23378339,
ZINC95740414,
AKOS027255285,
CS-0037863,
2-Methyl-2,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylic acid 5-t-butyl ester 3-ethyl ester,
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| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.339g/mol |
| Monoisotopic Mass | 295.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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