| CAS Number | 956438-59-8 |
| Catalog Number | AG019OS8 |
| Chemical Name | 2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetamide |
| IUPAC Name | 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide |
| InChI | InChI=1S/C8H11N3O2/c1-4-6(7(12)8(9)13)5(2)11(3)10-4/h1-3H3,(H2,9,13) |
| InChI Key | KFCYMPYODRSZAU-UHFFFAOYSA-N |
| MDL Number | MFCD07355832 |
| Molecular Formula | C8H11N3O2 |
| Molecular Weight | 181.1918 |
| SMILES | CC1C(C(C(N)=O)=O)=C(C)N(C)N=1 |
| Synonyms | 2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetamide,
956438-59-8,
2-oxo-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide,
AC1OFL7R,
CTK7D2329,
AC1Q4073,
ZINC4218739,
AKOS023166248,
MCULE-7904419019,
NE33667,
EN300-15057,
2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide,
Z118257766,
ZINC04218739,
CID7131333,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.195g/mol |
| Monoisotopic Mass | 181.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number