methyl [1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8020-2291 |
| Compound Name: | methyl [1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 266.68 |
| Molecular Formula: | C12 H11 Cl N2 O3 |
| Smiles: | COC(CC1CC(N(c2cccc(c2)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6168 |
| logD: | 0.1595 |
| logSw: | -2.4899 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.248 |
| InChI Key: | JWBKAAGVPYZHNV-UHFFFAOYSA-N |