| CAS Number | 25016-15-3 |
| Catalog Number | AG01B84D(AGN-PC-00KXEW) |
| Chemical Name | 1-(1,5-dimethyl-1H-pyrazol-3-yl)ethan-1-one |
| IUPAC Name | 1-(1,5-dimethylpyrazol-3-yl)ethanone |
| InChI | InChI=1S/C7H10N2O/c1-5-4-7(6(2)10)8-9(5)3/h4H,1-3H3 |
| InChI Key | QITCEIGFKNIYFU-UHFFFAOYSA-N |
| MDL Number | MFCD11878526 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CN1N=C(C=C1C)C(C)=O |
| Synonyms | 1-(1,5-dimethyl-1H-pyrazol-3-yl)ethanone,
25016-15-3,
1-(1,5-dimethyl-1H-pyrazol-3-yl)ethan-1-one,
SCHEMBL357627,
3-Acetyl-1,5-Dimethylpyrazole,
QITCEIGFKNIYFU-UHFFFAOYSA-N,
MFCD11878526,
ZINC39397948,
AKOS022718799,
AM100566,
FT-0738804,
Z1998636371,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number