| CAS Number | 31272-03-4 |
| Catalog Number | AG019YLE(AGN-PC-00JZ72) |
| Chemical Name | 3-ethyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one |
| IUPAC Name | 5-ethyl-2-methyl-4H-pyrazol-3-one |
| InChI | InChI=1S/C6H10N2O/c1-3-5-4-6(9)8(2)7-5/h3-4H2,1-2H3 |
| InChI Key | UIARRXNAPPSDFS-UHFFFAOYSA-N |
| MDL Number | MFCD09749462 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | CCC1CC(=O)N(C)N=1 |
| Synonyms | 3-ethyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one,
31272-03-4,
5-ethyl-2,4-dihydro-2-methyl-3H-pyrazol-3-one,
SCHEMBL17522580,
KS-00001KCU,
MFCD09749462,
AKOS008956629,
ZINC100128916,
MCULE-5141838140,
NE14410,
Z50146895,
2,4-DIHYDRO-5-ETHYL-2-METHYL-3H-PYRAZOL-3-ONE,
29939-22-8,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number