| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 3-tert-Butyl-1-methyl-2-pyrazolin-5-one 3-tert-Butyl-1-methyl-2-pyrazoli…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 87031-30-9 , [87031-30-9]
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one
3-tert-Butyl-1-methyl-2-pyrazolin-5-one, 98%
5-(tert-Butyl)-2,4-dihydro-2-methyl-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) | 1.41 | 3.58 | -7.53 | 0 | 3 | 0 | 33 | 154.213 | 1 | ↓ |
| Ref Reference (pH 7) | 1.78 | 3.19 | -11.71 | 1 | 3 | 0 | 38 | 154.213 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 1.31 | -6.16 | 1 | 3 | 0 | 38 | 154.213 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 147-151? | Alfa-Aesar |
| Melting_Point | 147-151° | Alfa-Aesar |
| MP | 150-152° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Warnings | Irritant | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5840654; WO1994022833A1 | IBM Patent Data |
