C61H67Cl5N20O15S5 — CID 159146027
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide (PubChem CID 159146027) has the molecular formula C61H67Cl5N20O15S5 and a molecular weight of 1657.93 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide.
| Compound Name | N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide |
|---|---|
| PubChem CID | 159146027 |
| Molecular Formula | C61H67Cl5N20O15S5 |
| Molecular Weight | 1657.93 g/mol |
| Exact Mass | 1654.21 |
| IUPAC Name | N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide |
| SMILES | CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C)(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CN(C(=O)CS(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CS(=O)(=O)CC(=O)Nc1cn(-c2cccnc2)nc1Cl |
| InChI | InChI=1S/2C13H15ClN4O3S.2C12H13ClN4O3S.C11H11ClN4O3S/c1-13(2,22(3,20)21)12(19)16-10-8-18(17-11(10)14)9-5-4-6-15-7-9;1-9(22(3,20)21)13(19)17(2)11-8-18(16-12(11)14)10-5-4-6-15-7-10;1-16(11(18)8-21(2,19)20)10-7-17(15-12(10)13)9-4-3-5-14-6-9;1-8(21(2,19)20)12(18)15-10-7-17(16-11(10)13)9-4-3-5-14-6-9;1-20(18,19)7-10(17)14-9-6-16(15-11(9)12)8-3-2-4-13-5-8/h4-8H,1-3H3,(H,16,19);4-9H,1-3H3;3-7H,8H2,1-2H3;3-8H,1-2H3,(H,15,18);2-6H,7H2,1H3,(H,14,17) |
| InChIKey | KIROVWDMCWZLIO-UHFFFAOYSA-N |
| XLogP | 6.12 |
| TPSA | 452.17 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 106 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1657.93 |
| LogP ≤ 5 | 6.12 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 30 |