| CAS Number | 1342025-30-2 |
| Catalog Number | AG01A11P(AGN-PC-0WO72S) |
| Chemical Name | 1-(1-(2-Methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl)ethanone |
| IUPAC Name | 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone |
| InChI | InChI=1S/C10H16N2O2/c1-7-10(9(3)13)8(2)12(11-7)5-6-14-4/h5-6H2,1-4H3 |
| InChI Key | GMRIBPHVOLHNPC-UHFFFAOYSA-N |
| MDL Number | MFCD16861486 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | COCCN1C(C)=C(C(C)=O)C(C)=N1 |
| Synonyms | 1342025-30-2,
1-[1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]ethan-1-one,
1-(1-(2-Methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl)ethanone,
1-[1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]ethanone,
BBL036638,
ZINC54715969,
AKOS012019874,
MCULE-1133847486,
NE27898,
Z1552027221,
1-[1-(2-Methoxy-ethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-ethanone,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number