| CAS Number | 1955548-24-9 |
| Catalog Number | AG01C65P |
| Chemical Name | 5-[(tert-butoxy)carbonyl]-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| IUPAC Name | 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C13H19N3O4/c1-8-6-16-9(5-10(14-16)11(17)18)7-15(8)12(19)20-13(2,3)4/h5,8H,6-7H2,1-4H3,(H,17,18) |
| InChI Key | GYMAJGGRYWVXFX-UHFFFAOYSA-N |
| MDL Number | MFCD29046120 |
| Molecular Formula | C13H19N3O4 |
| Molecular Weight | 281.3077 |
| SMILES | CC1N(C(OC(C)(C)C)=O)CC2N(N=C(C(O)=O)C=2)C1 |
| Synonyms | 5-[(tert-butoxy)carbonyl]-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid,
1955548-24-9,
AKOS026706609,
F1907-0955,
5-(tert-butoxycarbonyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.312g/mol |
| Monoisotopic Mass | 281.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number