| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 19 | No |
Popular Name: 4-(4-chlorophenyl)-1H-pyrazol-5-amine 4-(4-chlorophenyl)-1H-pyrazol-5-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 40545-65-1 , 477851-09-5 , [40545-65-1]
| 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) | 2.80 | 1.1 | -9.78 | 2 | 4 | 0 | 61 | 269.226 | 3 | ↓ |
| Ref Reference (pH 7) | 2.28 | 4.37 | -14.5 | 2 | 4 | 0 | 58 | 269.226 | 3 | ↓ |
| Ref Reference (pH 7) | 2.28 | 4.39 | -14.77 | 2 | 4 | 0 | 58 | 269.226 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 2.62 | -59.46 | 1 | 4 | -1 | 61 | 268.218 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 2.74 | -57.69 | 1 | 4 | -1 | 61 | 268.218 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 4.07 | -20.9 | 2 | 4 | 0 | 61 | 269.226 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 3.44 | -17.04 | 2 | 4 | 0 | 61 | 269.226 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 191 - 194 | KeyOrganics |
