1-{[(2S,4S)-4-fluoro-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1074 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C20 H22 F N7 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(c2c[nH]nc2c2ccccc2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.351 |
| logD: | 0.351 |
| logSw: | -2.0184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.536 |
| InChI Key: | ONTWLOIZYJSTNL-LSDHHAIUSA-N |