| CAS Number | 2007916-02-9 |
| Catalog Number | AG01EFMR |
| Chemical Name | tert-butyl 3-amino-6,6-dimethyl-2-(propanoyloxy)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate |
| IUPAC Name | tert-butyl 3-amino-6,6-dimethyl-2-propanoyloxy-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate |
| InChI | InChI=1S/C15H24N4O4/c1-7-10(20)23-19-12(16)9-8-18(13(21)22-14(2,3)4)15(5,6)11(9)17-19/h7-8,16H2,1-6H3 |
| InChI Key | ZEIIFSVSHZNOJI-UHFFFAOYSA-N |
| MDL Number | MFCD30471861 |
| Molecular Formula | C15H24N4O4 |
| Molecular Weight | 324.3755 |
| SMILES | CCC(=O)On1nc2c(CN(C(=O)OC(C)(C)C)C2(C)C)c1N |
| Synonyms | 2007916-02-9,
tert-Butyl 3-amino-6,6-dimethyl-2-(propionyloxy)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate,
MFCD30471861,
AKOS030628145,
ZINC498050906,
CS-0039571,
Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-2-(1-oxopropoxy)-, 1,1-dimethylethyl ester,
t-Butyl 3-amino-6,6-dimethyl-2-(propionyloxy)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate,
N/A,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.381g/mol |
| Monoisotopic Mass | 324.18g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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