ethyl 4-acetyl-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-acetyl-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylate
ethyl 4-acetyl-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | C799-0591 |
| Compound Name: | ethyl 4-acetyl-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 306.75 |
| Molecular Formula: | C15 H15 Cl N2 O3 |
| Smiles: | CCOC(c1c(C(C)=O)c(C)n(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8906 |
| logD: | 2.8906 |
| logSw: | -3.6256 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.43 |
| InChI Key: | UJYFUYAQSSKJNG-UHFFFAOYSA-N |