| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2005 | 16 | Yes |
Popular Name: 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol 2-Phenyl-5-trifluoromethyl-2H-py…
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CAS Numbers: 321-07-3 , 781-93-1 , 96145-98-1 , [96145-98-1]
1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one
1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one 97%
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
1-Phenyl-3-trifluoromethyl-2-pyrazolin-5-one
1-Phenyl-3-trifluoromethyl-2-pyrazolin-5-one, 98%
2,4-Dihydro-2-phenyl-5-trifluoromethyl-3H-pyrazol-3-one
2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one
2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-phenyl-5-(trifluoromethyl)pyrazol-3-ol
| 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) | 2.24 | 5.3 | -8.73 | 1 | 3 | 0 | 38 | 228.173 | 2 | ↓ |
| Ref Reference (pH 7) | 2.33 | 5.58 | -7.26 | 0 | 3 | 0 | 33 | 228.173 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 3.44 | -7.68 | 1 | 3 | 0 | 38 | 228.173 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 191-195? | Alfa-Aesar |
| Melting_Point | 191-195° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138-2-O | ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #2 Of 3), Other | Other | 398 | 0.56 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81138 | Z81138 | ScN2a (Scrapie-infected Neuroblastoma Cells) | 398 | 0.56 | Functional ≤ 10μM |
