| CAS Number | 1060814-48-3 |
| Catalog Number | AG01BTYV |
| Chemical Name | tert-butyl 3-formyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
| IUPAC Name | tert-butyl 3-formyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
| InChI | InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)14-4-5-15-10(7-14)9(8-16)6-13-15/h6,8H,4-5,7H2,1-3H3 |
| InChI Key | JJRPPUNSXQODHU-UHFFFAOYSA-N |
| MDL Number | MFCD10698565 |
| Molecular Formula | C12H17N3O3 |
| Molecular Weight | 251.2817 |
| SMILES | CC(OC(N1CC2N(N=CC=2C=O)CC1)=O)(C)C |
| Synonyms | 1060814-48-3,
tert-butyl 3-formyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate,
AB62408,
TERT-BUTYL 3-FORMYL-6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZINE-5(4H)-CARBOXYLATE,
5-N-Boc-3-formyl-6,7-dihydropyrazolo[1,5-a]pyrazine,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.286g/mol |
| Monoisotopic Mass | 251.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number