1-({(2S,4S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0029 |
| Compound Name: | 1-({(2S,4S)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.88 |
| Molecular Formula: | C20 H21 Cl F N7 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(c2cc(c3ccccc3[Cl])n[nH]2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3062 |
| logD: | 1.3051 |
| logSw: | -2.8484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.836 |
| InChI Key: | FIOGILIKIDKUTK-OLZOCXBDSA-N |