| CAS Number | 52867-41-1 |
| Catalog Number | AG01DSSZ(AGN-PC-0ND1B1) |
| Chemical Name | 1-ethyl-1H-pyrazol-3-ol |
| IUPAC Name | 2-ethyl-1H-pyrazol-5-one |
| InChI | InChI=1S/C5H8N2O/c1-2-7-4-3-5(8)6-7/h3-4H,2H2,1H3,(H,6,8) |
| InChI Key | FEMMUBXQRZJIIE-UHFFFAOYSA-N |
| MDL Number | MFCD31559520 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | CCN1N=C(O)C=C1 |
| Synonyms | 1-ethyl-1H-pyrazol-3-ol,
52867-41-1,
SCHEMBL6183796,
1-ethyl-1,2-dihydro-pyrazol-3-one,
AKOS034086797,
1-ethyl-2H-pyrazol-3-one,
1-ethyl-1H-pyrazol-3(2H)-one,
CID10931394,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number