N-benzyl-1-{[(2S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0260 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | Cc1c(cn(C)n1)C(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7555 |
| logD: | 0.7554 |
| logSw: | -2.0006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.988 |
| InChI Key: | BGORDQXQECDGHK-KRWDZBQOSA-N |