| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | No |
Popular Name: 1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-ol 1-phenyl-3-(trifluoromethyl)-1H-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119868-24-5 , 119868-25-6 , [119868-24-5] , [119868-25-6]
1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-4(5H)-one
| 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) | 2.50 | 4.54 | -44.52 | 0 | 3 | -1 | 41 | 227.165 | 2 | ↓ |
| Ref Reference (pH 7) | 1.91 | 5.42 | -8.56 | 0 | 3 | 0 | 33 | 228.173 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 3.8 | -8.47 | 1 | 3 | 0 | 38 | 228.173 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 116 - 118 | KeyOrganics |
| MP | 116-118° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.