N-benzyl-1-{[(2S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0234 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C22 H27 N7 O2 |
| Smiles: | CCn1cc(C(N2CCC[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)=O)c(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.17 |
| logD: | 1.1699 |
| logSw: | -2.1131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.68 |
| InChI Key: | YGPYRIATVZYVBH-SFHVURJKSA-N |