| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 12 | Yes |
Popular Name: ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate ethyl 1,3-dimethyl-1H-pyrazole-4…
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CAS Numbers: 85290-76-2 , [85290-76-2]
1H-pyrazole-4-carboxylic acid, 1,3-dimethyl-, ethyl ester
ethyl-1,3-dimethyl-1h-pyrazole-4-carboxylate
ethyl1,3-dimethyl-1h-pyrazole-4-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) | 0.74 | 4.42 | -9.11 | 0 | 4 | 0 | 44 | 168.196 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 58 - 59 | KeyOrganics |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.