| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 27th, 2005 | 13 | Yes |
Popular Name: 5-(4-BROMOPHENYL)-2H-PYRAZOL-3-YLAMINE 5-(4-BROMOPHENYL)-2H-PYRAZOL-3-Y…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 78583-82-1 , [78583-82-1]
1H-Pyrazol-3-amine,5-(4-bromophenyl)-
3-(4-bromophenyl)-1H-pyrazol-5-amine
3-Amino-5-(4-bromophenyl)-1H-pyrazole
5-(4-bromophenyl)-1h-pyrazol-3-amine
5-Amino-3-(4-bromophenyl)-1H-pyrazole
| 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) | 2.41 | 3.98 | -6.28 | 3 | 3 | 0 | 55 | 238.088 | 1 | ↓ |
| Ref Reference (pH 7) | 2.09 | 4.52 | -37.21 | 3 | 3 | 1 | 52 | 239.096 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 3.96 | -5.86 | 3 | 3 | 0 | 55 | 238.088 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 4.11 | -31.48 | 4 | 3 | 1 | 56 | 239.096 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 172 - 174 | KeyOrganics |
| MP | 172-174° | Matrix Scientific |
| MP | 174-175° | Oakwood Chemical |
| Melting_Point | 174-176? | Alfa-Aesar |
| Melting_Point | 174-176° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
