| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 9 | No |
Popular Name: 3-ethyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one 3-ethyl-1-methyl-4,5-dihydro-1H-…
Find On: PubMed — Wikipedia — Google
CAS Number: 31272-03-4
| 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) | 0.58 | 2.52 | -8.69 | 0 | 3 | 0 | 33 | 126.159 | 1 | ↓ |
| Ref Reference (pH 7) | 0.63 | 2.15 | -12.79 | 1 | 3 | 0 | 38 | 126.159 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 0.19 | -6.38 | 1 | 3 | 0 | 38 | 126.159 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 89 - 91 | Enamine Building Blocks |
| MP | 89...91 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US5840654; WO1994022833A1 | IBM Patent Data |
