| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 20 | Yes |
Popular Name: ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate ethyl 1-(4-methoxyphenyl)-3,5-di…
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CAS Numbers: 849416-70-2 , [849416-70-2]
1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
Ethyl 3,5-dimethyl-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
ethyl1-(4-methoxyphenyl)-3,5-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) | 2.30 | 3.04 | -9.83 | 0 | 5 | 0 | 53 | 274.32 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.31e-01 g/l | DrugBank-experimental |
| melting_point | 5.000000000000000e+001 - 5.200000000000000e+001 | KeyOrganics |
| melting_point | 50 - 52 | KeyOrganics |
| MP | 50-52° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
