1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0749 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CCn1c(ccn1)C(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.523 |
| logD: | 2.523 |
| logSw: | -2.3663 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.552 |
| InChI Key: | BSSWZQAXWNYOIR-UNMCSNQZSA-N |