| CAS Number | 926207-71-8 |
| Catalog Number | AG019LNT |
| Chemical Name | 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-one |
| IUPAC Name | 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-one |
| InChI | InChI=1S/C10H15N3O3S/c1-7-10(8(2)12-11-7)17(15,16)13-5-3-9(14)4-6-13/h3-6H2,1-2H3,(H,11,12) |
| InChI Key | ZMKBTVNCRNDVEU-UHFFFAOYSA-N |
| MDL Number | MFCD09041007 |
| Molecular Formula | C10H15N3O3S |
| Molecular Weight | 257.3094 |
| SMILES | CC1C(S(N2CCC(=O)CC2)(=O)=O)=C(C)NN=1 |
| Synonyms | 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-one,
926207-71-8,
AC1Q2Q4R,
CTK7H4232,
ZINC20223898,
AKOS000123181,
MCULE-9916027716,
NE26787,
NCGC00297408-01,
EN300-31898,
AB01291009-01,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.308g/mol |
| Monoisotopic Mass | 257.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number