ethyl 1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V016-7171 |
| Compound Name: | ethyl 1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-5-(propan-2-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C22 H21 N3 O6 |
| Smiles: | CCOC(c1cc(C(C)C)n(c2ccc(cc2)C(=O)Oc2ccc(cc2)[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.553 |
| logD: | 4.553 |
| logSw: | -4.3625 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.846 |
| InChI Key: | RHWIVFNXSJOGCS-UHFFFAOYSA-N |