| CAS Number | 1479278-20-0 |
| Catalog Number | AG01C3M1 |
| Chemical Name | tert-Butyl 4-amino-1H-pyrazole-3-carboxylate |
| IUPAC Name | tert-butyl 4-amino-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)6-5(9)4-10-11-6/h4H,9H2,1-3H3,(H,10,11) |
| InChI Key | JSAHDFUZRYYBLK-UHFFFAOYSA-N |
| MDL Number | MFCD19313342 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | CC(OC(C1C(N)=CNN=1)=O)(C)C |
| Synonyms | tert-butyl 4-amino-1H-pyrazole-3-carboxylate,
1479278-20-0,
ZINC83744650,
AKOS014690664,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number