| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 12 | Yes |
Popular Name: ethyl 5-ethyl-1H-pyrazole-3-carboxylate ethyl 5-ethyl-1H-pyrazole-3-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 26308-40-7 , 885319-49-3
3-ethyl-1H-pyrazole-5-carboxylic acid ethyl ester
| 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) | 1.56 | 3.87 | -7.81 | 1 | 4 | 0 | 55 | 168.196 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 3.88 | -5.17 | 1 | 4 | 0 | 55 | 168.196 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0994115A2; EP0994115A3; EP0995750A1; WO1999054333A1 | IBM Patent Data |
