1-({(2S)-4,4-difluoro-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0199 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C20 H21 F2 N7 O3 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(c2cc(c3cccc(c3)OC)n[nH]2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6228 |
| logD: | 1.6217 |
| logSw: | -2.17 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.215 |
| InChI Key: | PBHUSBLOLWWISM-CYBMUJFWSA-N |