| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2006 | 11 | Yes |
Popular Name: HI-1984 HI-1984
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2361-34-4 , 342402-64-6 , 41534-08-1
1H-Pyrazole-1-propanenitrile, 2,5-dihydro-3-methyl-5-oxo- (9CI)
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)propanenitrile
3-(3-Methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile
| 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) | -0.49 | 2.83 | -16.42 | 1 | 4 | 0 | 62 | 151.169 | 2 | ↓ |
| Ref Reference (pH 7) | -0.46 | 3.09 | -11.14 | 0 | 4 | 0 | 56 | 151.169 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 2.7 | -36.08 | 0 | 4 | -1 | 65 | 150.161 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 0.85 | -9.77 | 1 | 4 | 0 | 62 | 151.169 | 2 | ↓ |
