| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | Yes |
Popular Name: 4-{3-[4-(Trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-pyridine 4-{3-[4-(Trifluoromethyl)phenyl]…
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CAS Numbers: 396129-66-1 , [396129-66-1]
4-{3-[4-(Trifluoromethyl)phenyl]-1H-pyrazol-4-yl}
| 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) | 3.32 | 7.16 | -7.81 | 1 | 3 | 0 | 42 | 289.26 | 3 | ↓ |
| Ref Reference (pH 7) | 3.32 | 7.31 | -6.45 | 1 | 3 | 0 | 42 | 289.26 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 1.4 | -40.46 | 2 | 3 | 1 | 42 | 290.268 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95%+ | Fluorochem |
| MP | > 230° (dec.) | Fluorochem |
| MP | >230°(dec) | Matrix Scientific |
| Warnings | Irritant | Matrix Scientific |
