| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 11 | Yes |
Popular Name: Ethyl 4-iodo-1H-pyrazole-5-carboxylate Ethyl 4-iodo-1H-pyrazole-5-carbo…
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CAS Numbers: 179692-08-1 , 5932-27-4 , [179692-08-1]
| 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) | 1.78 | 3.59 | -8.28 | 1 | 4 | 0 | 55 | 266.038 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 3.56 | -4.45 | 1 | 4 | 0 | 55 | 266.038 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | WO1996040704A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.