ethyl 1-{4-[(2-methylpropyl)carbamoyl]phenyl}-5-(naphthalen-2-yl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(2-methylpropyl)carbamoyl]phenyl}-5-(naphthalen-2-yl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[(2-methylpropyl)carbamoyl]phenyl}-5-(naphthalen-2-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V003-4876 |
| Compound Name: | ethyl 1-{4-[(2-methylpropyl)carbamoyl]phenyl}-5-(naphthalen-2-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C27 H27 N3 O3 |
| Smiles: | CCOC(c1cc(c2ccc3ccccc3c2)n(c2ccc(cc2)C(NCC(C)C)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5477 |
| logD: | 5.5477 |
| logSw: | -6.2797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.229 |
| InChI Key: | XCMFHVJYZGOCBQ-UHFFFAOYSA-N |