| CAS Number | 35087-28-6 |
| Catalog Number | AG00CMOO(AGN-PC-002K0U) |
| Chemical Name | 5-Ethyl-1h-pyrazol-3-ol |
| IUPAC Name | 3-ethyl-1,4-dihydropyrazol-5-one |
| InChI | InChI=1S/C5H8N2O/c1-2-4-3-5(8)7-6-4/h2-3H2,1H3,(H,7,8) |
| InChI Key | AOZOUSZEPXLSLV-UHFFFAOYSA-N |
| MDL Number | MFCD03033093 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | O=C1CC(CC)=NN1 |
| Synonyms | 35087-28-6,
3-Ethyl-1H-pyrazol-5(4H)-one,
3-ethyl-2-pyrazoline-5-one,
3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-,
3-ethyl-2-pyrazolin-5-one,
SCHEMBL1659954,
CTK1B7222,
DTXSID70564043,
AOZOUSZEPXLSLV-UHFFFAOYSA-N,
AKOS008957048,
ZINC100153696,
3-ethyl-4,5-dihydro-1h-pyrazol-5-one,
5-Ethyl-2,4-dihydro-3H-pyrazol-3-one,
5-ethyl-1H-pyrazol-3-ol,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.063663g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.13g/mol |
| Monoisotopic Mass | 112.063663g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number