| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 10 | Yes |
Popular Name: 5-tert-Butyl-2,4-dihydro-3H-pyrazol-3-one 5-tert-Butyl-2,4-dihydro-3H-pyra…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 29211-68-5 , 66699-90-9
3-(tert-butyl)-4,5-dihydro-1H-5-pyrazolone
3-tert-Butyl-2-pyrazolin-5-one
3-tert-Butyl-2-pyrazolin-5-one, 98%
3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one
5-tert-Butyl-1,2-dihydro-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) | 2.17 | -1.08 | -6.12 | 2 | 3 | 0 | 49 | 140.186 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 1.07 | -51.53 | 1 | 3 | -1 | 52 | 139.178 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 203 | KeyOrganics |
| Melting_Point | 208-212? | Alfa-Aesar |
| Melting_Point | 208-212° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4146632; US4163052 | IBM Patent Data |
