| CAS Number | 2031258-47-4 |
| Catalog Number | AG01B6M2 |
| Chemical Name | 1-(1,3-dimethyl-1H-pyrazol-5-yl)azetidin-2-one |
| IUPAC Name | 1-(2,5-dimethylpyrazol-3-yl)azetidin-2-one |
| InChI | InChI=1S/C8H11N3O/c1-6-5-7(10(2)9-6)11-4-3-8(11)12/h5H,3-4H2,1-2H3 |
| InChI Key | AGMHCVOHWXOOCA-UHFFFAOYSA-N |
| MDL Number | MFCD30344939 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | CC1=NN(C)C(N2C(=O)CC2)=C1 |
| Synonyms | 1-(1,3-dimethyl-1H-pyrazol-5-yl)azetidin-2-one,
2031258-47-4,
ZINC521399033,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number