C152H166F5N29O14S6 — CID 159556961
N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-piperidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide (PubChem CID 159556961) has the molecular formula C152H166F5N29O14S6 and a molecular weight of 2910.58 g/mol. Its IUPAC name is N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-piperidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide.
| Compound Name | N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-piperidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide |
|---|---|
| PubChem CID | 159556961 |
| Molecular Formula | C152H166F5N29O14S6 |
| Molecular Weight | 2910.58 g/mol |
| Exact Mass | 2908.14 |
| IUPAC Name | N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-piperidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide |
| SMILES | CC(C)c1cccc(-n2cc(-c3ccc(NS(C)(=O)=O)cc3)cn2)c1.CCCc1cc(-n2cc(-c3ccc(CCC(C)C)nc3)c(C)n2)ccn1.CCCc1cccc(-n2cc(-c3ccc(NS(C)(=O)=O)cc3)cn2)c1.CCCn1cc(-n2cc(-c3ccc(NC(C)C)nc3)cn2)ccc1=O.CCCn1cc(-n2cc(-c3ccc(NS(C)(=O)=O)cc3)cn2)ccc1=O.CS(=O)(=O)Nc1ccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1.CS(=O)(=O)Nc1ccc(-c2cnn(-c3cccc(C(F)F)c3)c2)cc1.CS(=O)(=O)Nc1ccc(-c2cnn(-c3cccc(N4CCCCC4)c3)c2)cc1 |
| InChI | InChI=1S/C22H28N4.C21H24N4O2S.C19H23N5O.2C19H21N3O2S.C18H20N4O3S.C17H14F3N3O2S.C17H15F2N3O2S/c1-5-6-20-13-21(11-12-23-20)26-15-22(17(4)25-26)18-8-10-19(24-14-18)9-7-16(2)3;1-28(26,27)23-19-10-8-17(9-11-19)18-15-22-25(16-18)21-7-5-6-20(14-21)24-12-3-2-4-13-24;1-4-9-23-13-17(6-8-19(23)25)24-12-16(11-21-24)15-5-7-18(20-10-15)22-14(2)3;1-14(2)16-5-4-6-19(11-16)22-13-17(12-20-22)15-7-9-18(10-8-15)21-25(3,23)24;1-3-5-15-6-4-7-19(12-15)22-14-17(13-20-22)16-8-10-18(11-9-16)21-25(2,23)24;1-3-10-21-13-17(8-9-18(21)23)22-12-15(11-19-22)14-4-6-16(7-5-14)20-26(2,24)25;1-26(24,25)22-15-7-5-12(6-8-15)13-10-21-23(11-13)16-4-2-3-14(9-16)17(18,19)20;1-25(23,24)21-15-7-5-12(6-8-15)14-10-20-22(11-14)16-4-2-3-13(9-16)17(18)19/h8,10-16H,5-7,9H2,1-4H3;5-11,14-16,23H,2-4,12-13H2,1H3;5-8,10-14H,4,9H2,1-3H3,(H,20,22);4-14,21H,1-3H3;4,6-14,21H,3,5H2,1-2H3;4-9,11-13,20H,3,10H2,1-2H3;2-11,22H,1H3;2-11,17,21H,1H3 |
| InChIKey | MGCRFKVTYAANOE-UHFFFAOYSA-N |
| XLogP | 30.56 |
| TPSA | 517.52 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2910.58 |
| LogP ≤ 5 | 30.56 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 37 |