| CAS Number | 1823815-24-2 |
| Catalog Number | AG019EKL(AGN-PC-0WG4TR) |
| Chemical Name | 5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE-7-CARBOXYLIC ACID |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxylic acid |
| InChI | InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-6-8-4-5-13-15(8)9(7-14)10(16)17/h4-5,9H,6-7H2,1-3H3,(H,16,17) |
| InChI Key | LKEOCQRPAYKRCN-UHFFFAOYSA-N |
| MDL Number | MFCD28119020 |
| Molecular Formula | C12H17N3O4 |
| Molecular Weight | 267.2811 |
| SMILES | CC(C)(C)OC(=O)N1CC2=CC=NN2C(C1)C(=O)O |
| Synonyms | 1823815-24-2,
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxylic acid,
MFCD28119020,
CS-0038241,
5-(t-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxylic acid,
5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]Pyrazine-7-Carboxylic Acid(WX141841),
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.285g/mol |
| Monoisotopic Mass | 267.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number