ethyl 5-(3-methylbutyl)-1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-methylbutyl)-1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 5-(3-methylbutyl)-1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V003-1911 |
| Compound Name: | ethyl 5-(3-methylbutyl)-1-{4-[(4-nitrophenoxy)carbonyl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C24 H25 N3 O6 |
| Smiles: | CCOC(c1cc(CCC(C)C)n(c2ccc(cc2)C(=O)Oc2ccc(cc2)[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3848 |
| logD: | 5.3848 |
| logSw: | -5.3983 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.327 |
| InChI Key: | WHVJKXNXDJLPJH-UHFFFAOYSA-N |