| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: 4-(5-amino-3,4-dimethyl-1H-pyrazol-1-yl)benzonitrile 4-(5-amino-3,4-dimethyl-1H-pyraz…
Find On: PubMed — Wikipedia — Google
CAS Number: 1333648-15-9
| 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) | 1.62 | 6.3 | -32.05 | 3 | 4 | 1 | 69 | 213.264 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 6.22 | -9.11 | 2 | 4 | 0 | 68 | 212.256 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 180 - 182 | Enamine Building Blocks |
| MP | 180...182 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
