1-({(2S,4S)-4-fluoro-1-[3-(4-methoxyphenyl)-1H-pyrazole-5-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-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1091 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H24 F N7 O3 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(c2cc(c3ccc(cc3)OC)n[nH]2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0483 |
| logD: | 1.0473 |
| logSw: | -1.9975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.38 |
| InChI Key: | VKWITRHSOURCOX-LSDHHAIUSA-N |