(azepan-1-yl)[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
(azepan-1-yl)[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | C590-0096 |
| Compound Name: | (azepan-1-yl)[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 283.37 |
| Molecular Formula: | C17 H21 N3 O |
| Smiles: | Cc1ccc(cc1)c1cc(C(N2CCCCCC2)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9957 |
| logD: | 3.9951 |
| logSw: | -3.9945 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.708 |
| InChI Key: | NECXNQICBMNGPQ-UHFFFAOYSA-N |