| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2006 | 11 | No |
Popular Name: 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol 1-methyl-3-(trifluoromethyl)-1H-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 122431-37-2 , 1481-02-3 , [122431-37-2] , [1481-02-3]
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, 2-Methyl-5-(trifluoromethyl)-2H-pyrazol-3-ol
1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
1-Methyl-3-trifluoromethyl-1H-pyrazol-5-ol
1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one
1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one, 96%
1H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-
2,4-dihydro-2-methyl-5-(trifluoromethyl)-3h-pyrazol-3-one
2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one 97%
2,4-Dihydro-2-methyl-5-trifluoromethyl-3H-pyrazol-3-one
2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-Methyl-5-trifluoromethyl-2H-pyrazol-3-ol
5-hydroxy-1-methyl-3-(trifluoromethyl)-1h-pyrazole
5-Hydroxy-1-methyl-3-(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) | 0.63 | 2.06 | -5.88 | 0 | 3 | 0 | 33 | 166.102 | 1 | ↓ |
| Ref Reference (pH 7) | 0.97 | 1.76 | -8.82 | 1 | 3 | 0 | 38 | 166.102 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | -0.19 | -6.67 | 1 | 3 | 0 | 38 | 166.102 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 177 - 179 | Acros Organics |
| melting_point | 177 - 180 | KeyOrganics |
| melting_point | 178 - 180 | KeyOrganics |
| Melting_Point | 178-180? | Alfa-Aesar |
| MP | 178-180° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0557481A1; EP0557481B1; EP0623113A1; EP0623113B1; EP0638555A1; EP0665841A1; EP0665841B1; EP0690846A1; EP0690846B1; EP0806415A1; EP0806415B1; EP0820996A1; EP0823431A1; EP0859772A1; EP0863879A1; EP0887343A1; EP0923571A2; EP0955300A2; US4822779; US5223526 | IBM Patent Data |
| 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.