| CAS Number | 1209488-61-8 |
| Catalog Number | AG019ET6(AGN-PC-0WG4U3) |
| Chemical Name | Tert-Butyl 2-(((Benzyloxy)Carbonyl)Amino)-6,7-Dihydropyrazolo[1,5-A]Pyrazine-5(4H)-Carboxylate |
| IUPAC Name | tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
| InChI | InChI=1S/C19H24N4O4/c1-19(2,3)27-18(25)22-9-10-23-15(12-22)11-16(21-23)20-17(24)26-13-14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3,(H,20,21,24) |
| InChI Key | MRYHOZPPIOODKJ-UHFFFAOYSA-N |
| MDL Number | MFCD30185095 |
| Molecular Formula | C19H24N4O4 |
| Molecular Weight | 372.4183 |
| SMILES | CC(C)(C)OC(=O)N1CCn2[nH]c(cc2C1)=NC(=O)OCc1ccccc1 |
| Synonyms | 1209488-61-8,
tert-Butyl 2-(((benzyloxy)carbonyl)amino)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate,
tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate,
SCHEMBL12307580,
CS-0035702,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.425g/mol |
| Monoisotopic Mass | 372.18g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 85.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number