| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 11 | Yes |
Popular Name: 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol 1-methyl-5-(trifluoromethyl)-1H-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 119022-51-3 , 119022-51-4 , [119022-51-4]
1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
1-Methyl-5-trifluoromethyl-1,2-dihydropyrazol-3-one
1H-pyrazol-3-ol, 1-methyl-5-(trifluoromethyl)-
3-Hydroxy-1-Methyl-5-(Trifluoromethyl)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) | 1.43 | -1.43 | -5.5 | 1 | 3 | 0 | 38 | 166.102 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 0.42 | -40.69 | 0 | 3 | -1 | 41 | 165.094 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 114 - 115 | Acros Organics |
| M.P | 114-115C | Indofine |
| melting_point | 150 - 152 | KeyOrganics |
| MP | 150-151.5° | Matrix Scientific |
| MP | 150-152° | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.