| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 12 | Yes |
Popular Name: 4-phenyl-1H-pyrazol-5-amine 4-phenyl-1H-pyrazol-5-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5591-70-8 , 5591-70-8, 57999-06-1 , 57999-06-1 , [5591-70-8]
| 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) | 1.65 | 3.58 | -5.67 | 3 | 3 | 0 | 55 | 159.192 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 3.47 | -10.25 | 2 | 3 | 0 | 51 | 159.192 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 3.47 | -10.26 | 2 | 3 | 0 | 51 | 159.192 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 3.56 | -6.34 | 3 | 3 | 0 | 55 | 159.192 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 3.74 | -32.27 | 4 | 3 | 1 | 56 | 160.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 170-171° | Oakwood Chemical |
| Melting_Point | 170-173? | Alfa-Aesar |
| Melting_Point | 170-173° | Alfa-Aesar |
| melting_point | 175 - 177 | KeyOrganics |
| MP | 175-177° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
