ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(butan-2-yl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(butan-2-yl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(butan-2-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V008-0036 |
| Compound Name: | ethyl 1-{4-[benzyl(methyl)carbamoyl]phenyl}-5-(butan-2-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | CCC(C)c1cc(C(=O)OCC)nn1c1ccc(cc1)C(N(C)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.691 |
| logD: | 4.691 |
| logSw: | -4.4107 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.237 |
| InChI Key: | VNLXSOJGFFQRJG-SFHVURJKSA-N |