| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 12 | Yes |
Popular Name: 5-(Trifluoromethyl)pyrazole-3-carboxamide 5-(Trifluoromethyl)pyrazole-3-ca…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1276541-94-6 , 23038-36-0 , 37909-95-8 , [1276541-94-6]
| 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) | 0.51 | -1.27 | -9.21 | 3 | 4 | 0 | 72 | 179.101 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | -1.46 | -31.11 | 2 | 4 | -1 | 70 | 178.093 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | -1.3 | -6.62 | 3 | 4 | 0 | 72 | 179.101 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.