| CAS Number | 1989659-43-9 |
| Catalog Number | AG01B27Y |
| Chemical Name | tert-Butyl 2-(3-amino-1H-pyrazol-1-yl)-2-methylpropanoate |
| IUPAC Name | tert-butyl 2-(3-aminopyrazol-1-yl)-2-methylpropanoate |
| InChI | InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)11(4,5)14-7-6-8(12)13-14/h6-7H,1-5H3,(H2,12,13) |
| InChI Key | JTHCOPACYXLLLI-UHFFFAOYSA-N |
| MDL Number | MFCD30342740 |
| Molecular Formula | C11H19N3O2 |
| Molecular Weight | 225.2875 |
| SMILES | CC(OC(C(N1N=C(N)C=C1)(C)C)=O)(C)C |
| Synonyms | tert-butyl 2-(3-amino-1H-pyrazol-1-yl)-2-methylpropanoate,
1989659-43-9,
AKOS033946717,
ZINC521398281,
Z2574360277,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.292g/mol |
| Monoisotopic Mass | 225.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number