| CAS Number | 1706449-45-7 |
| Catalog Number | AG01CA6S |
| Chemical Name | 5-tert-butyl 3-ethyl 2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate |
| IUPAC Name | 5-O-tert-butyl 3-O-ethyl 2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate |
| InChI | InChI=1S/C15H23N3O4/c1-6-21-13(19)12-10-9-18(14(20)22-15(2,3)4)8-7-11(10)16-17(12)5/h6-9H2,1-5H3 |
| InChI Key | WCJJZLZYQFJHDD-UHFFFAOYSA-N |
| MDL Number | MFCD28656804 |
| Molecular Formula | C15H23N3O4 |
| Molecular Weight | 309.3608 |
| SMILES | O=C(C1=C2CN(C(OC(C)(C)C)=O)CCC2=NN1C)OCC |
| Synonyms | 1706449-45-7,
MFCD28656804,
ZINC71257326,
AKOS024462254,
MCULE-5429412666,
5-tert-butyl 3-ethyl 2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate,
5-t-Butyl 3-ethyl 2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate,
5-tert-butyl 3-ethyl 2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate,
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| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.366g/mol |
| Monoisotopic Mass | 309.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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