| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2007 | 16 | No |
Popular Name: 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 4-(2-hydroxyethyl)-5-methyl-2-ph…
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CAS Numbers: 10223-33-3 , 861210-10-8 , [861210-10-8]
4- -3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE
4-(2-Hydroxyethyl)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
4-(2-Hydroxyethyl)-3-methyl-1-phenyl-2-pyrazolin-5-one
4-(2-Hydroxyethyl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-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) | 1.52 | 3.12 | -11.73 | 1 | 4 | 0 | 53 | 218.256 | 3 | ↓ |
| Ref Reference (pH 7) | 1.52 | 3.07 | -11.72 | 1 | 4 | 0 | 53 | 218.256 | 3 | ↓ |
| Ref Reference (pH 7) | 0.80 | 3.05 | -16.77 | 2 | 4 | 0 | 58 | 218.256 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 1.83 | -50.28 | 1 | 4 | -1 | 61 | 217.248 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 1.07 | -8.84 | 2 | 4 | 0 | 58 | 218.256 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 95 - 98 | KeyOrganics |
| MP | 95-98° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
