| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 12 | No |
Popular Name: Ethyl 5-formyl-1H-pyrazole-3-carboxylate Ethyl 5-formyl-1H-pyrazole-3-car…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 93290-12-1 , [56563-30-5] , [93290-12-1]
5-Formyl-1h-pyrazole-3-carboxylic acid ethyl ester
Ethyl 3-formyl-1H-pyrazole-5-carboxylate
| 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) | 0.80 | 2.17 | -9.36 | 1 | 5 | 0 | 72 | 168.152 | 4 | ↓ |
| Ref Reference (pH 7) | 0.80 | 2.16 | -10.04 | 1 | 5 | 0 | 72 | 168.152 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 2.02 | -37.67 | 0 | 5 | -1 | 70 | 167.144 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 2.03 | -37.81 | 0 | 5 | -1 | 70 | 167.144 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0904271A1; US5470862; US6066639; WO1997041115A1 | IBM Patent Data |
