| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 17 | Yes |
Popular Name: 3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine 3-methyl-4-[3-(trifluoromethyl)p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 851975-08-1 , [851975-08-1]
| 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) | 2.74 | 5.09 | -6.21 | 3 | 3 | 0 | 55 | 241.216 | 2 | ↓ |
| Ref Reference (pH 7) | 2.74 | 5.04 | -6.87 | 3 | 3 | 0 | 55 | 241.216 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 5.2 | -35.04 | 4 | 3 | 1 | 56 | 242.224 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 110 - 113 | KeyOrganics |
| MP | 110-113° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
