| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 1-tert-butyl-3-methyl-1H-pyrazol-5-ol 1-tert-butyl-3-methyl-1H-pyrazol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1020661-22-6 , 132214-71-2
2-(tert-butyl)-5-methyl-2,4-dihydro-3H-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) | 1.24 | 3.49 | -13.53 | 1 | 3 | 0 | 38 | 154.213 | 1 | ↓ |
| Ref Reference (pH 7) | 1.27 | 3.75 | -8.3 | 0 | 3 | 0 | 33 | 154.213 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 2.43 | -45.15 | 0 | 3 | -1 | 41 | 153.205 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 1.69 | -6.17 | 1 | 3 | 0 | 38 | 154.213 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 125 - 127 | Enamine Building Blocks |
| MP | 125...127 | Enamine Building Blocks |
| melting_point | 128 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
