ethyl 1-{4-[(2,2-dimethylpropyl)carbamoyl]phenyl}-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(2,2-dimethylpropyl)carbamoyl]phenyl}-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[(2,2-dimethylpropyl)carbamoyl]phenyl}-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V011-5659 |
| Compound Name: | ethyl 1-{4-[(2,2-dimethylpropyl)carbamoyl]phenyl}-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCc1ccc(cc1)c1cc(C(=O)OCC)nn1c1ccc(cc1)C(NCC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0829 |
| logD: | 6.0829 |
| logSw: | -5.431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.5 |
| InChI Key: | MICMMGQDSJXGFJ-UHFFFAOYSA-N |