| CAS Number | 306818-06-4 |
| Catalog Number | AG01A285(AGN-PC-0WOMQI) |
| Chemical Name | Ethyl 2-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)acetate |
| IUPAC Name | ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate |
| InChI | InChI=1S/C11H19N3O2/c1-5-16-10(15)7-14-9(12)6-8(13-14)11(2,3)4/h6H,5,7,12H2,1-4H3 |
| InChI Key | NKLKNVALGKYXRM-UHFFFAOYSA-N |
| MDL Number | MFCD18307205 |
| Molecular Formula | C11H19N3O2 |
| Molecular Weight | 225.2875 |
| SMILES | O=C(OCC)CN1N=C(C(C)(C)C)C=C1N |
| Synonyms | ethyl 2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetate,
306818-06-4,
Ethyl 2-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)acetate,
SCHEMBL1080897,
NKLKNVALGKYXRM-UHFFFAOYSA-N,
ZINC70824912,
AKOS012580679,
MCULE-8032941997,
NE27422,
Ethyl (5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetate,
Z1501468144,
|
| Complexity | 250 |
| 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 | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number