N-[rel-(3R,4S)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0109 |
| Compound Name: | N-[rel-(3R,4S)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 449.56 |
| Molecular Formula: | C24 H31 N7 O2 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3c[nH]nc3c3ccc(cc3)OC)C[C@H]2NC(C2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1018 |
| logD: | -1.1436 |
| logSw: | -2.9109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.23 |
| InChI Key: | GEWJKDOWOWTACO-SFTDATJTSA-N |