methyl 1-[2-(3-acetylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(3-acetylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxylate
methyl 1-[2-(3-acetylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8017-1096 |
| Compound Name: | methyl 1-[2-(3-acetylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C15 H15 N3 O4 |
| Smiles: | CC(c1cccc(c1)NC(Cn1ccc(C(=O)OC)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1311 |
| logD: | 1.131 |
| logSw: | -2.1042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.777 |
| InChI Key: | JBWKTNOXJAEFBO-UHFFFAOYSA-N |