N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl}cyclopropanecarboxamide
Chemical Structure Depiction of
N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl}cyclopropanecarboxamide
N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl}cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S617-0170 |
| Compound Name: | N-{rel-(3R,4R)-4-(hydroxymethyl)-1-[3-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl}cyclopropanecarboxamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | COc1ccc(cc1)c1c(c[nH]n1)C(N1CC[C@H](CO)[C@@H](C1)NC(C1CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1068 |
| logD: | 1.1068 |
| logSw: | -2.0374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.529 |
| InChI Key: | PFCGCTQAONIAMR-QAPCUYQASA-N |