| CAS Number | 1935209-36-1 |
| Catalog Number | AG01A01E |
| Chemical Name | methyl 2-(4-amino-1H-pyrazol-1-yl)-2-methylpropanoate |
| IUPAC Name | methyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate |
| InChI | InChI=1S/C8H13N3O2/c1-8(2,7(12)13-3)11-5-6(9)4-10-11/h4-5H,9H2,1-3H3 |
| InChI Key | MTWZADZFYVRMNC-UHFFFAOYSA-N |
| MDL Number | MFCD30342650 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | COC(C(N1N=CC(N)=C1)(C)C)=O |
| Synonyms | methyl 2-(4-amino-1H-pyrazol-1-yl)-2-methylpropanoate,
1935209-36-1,
SCHEMBL15651578,
ZINC224449786,
|
| Complexity | 206 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number