| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 7 | Yes |
Popular Name: 3-Methyl-5-hydroxypyrazole 3-Methyl-5-hydroxypyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 108-26-9 , 132712-71-1 , 145091-87-8 , 4344-87-0 , N/A , [108-26-9]
1,2-Dihydro-5-methyl-3H-pyrazol-3-one
2,4-Dihydro-5-methyl-3H-pyrazol-3-one
3-(TRIFLUOROMETHYL)-2-Pyrazolin-5-One[401-73-0]
3-Methyl-2-pyrazolin-5-one, 98+%
3-methyl-4,5-dihydro-1H-pyrazol-5-one
5-Hydroxy-3-methyl-1H-pyrazole
5-methyl-2,3-dihydro-1H-pyrazol-3-one
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.44 | -2.94 | -7.37 | 2 | 3 | 0 | 49 | 98.105 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | -2.17 | -53.02 | 1 | 3 | -1 | 52 | 97.097 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 217 - 219 | Enamine Building Blocks |
| Melting_Point | 220-224? | Alfa-Aesar |
| Melting_Point | 220-224° | Alfa-Aesar |
| MP | 222 | TCI |
| MP | 223 - 225 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4101540; US4956269 | IBM Patent Data |
