| CAS Number | 1909317-16-3 |
| Catalog Number | AG01C44L |
| Chemical Name | tert-Butyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| IUPAC Name | tert-butyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)8-7-13-14-6-4-5-12-9(8)14/h7,12H,4-6H2,1-3H3 |
| InChI Key | LENIRXFFVZJJOC-UHFFFAOYSA-N |
| MDL Number | MFCD29906865 |
| Molecular Formula | C11H17N3O2 |
| Molecular Weight | 223.2716 |
| SMILES | CC(OC(C1=C2N(CCCN2)N=C1)=O)(C)C |
| Synonyms | tert-butyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate,
1909317-16-3,
AKOS033921201,
ZINC334163830,
Z2469606588,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.276g/mol |
| Monoisotopic Mass | 223.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number