C239H220Cl16F11N55O19S — CID 161419114
3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-chloro-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[5-(4-fluorophenyl)-2H-pyrrol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-morpholin-4-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-piperidin-4-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(3-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 161419114) has the molecular formula C239H220Cl16F11N55O19S and a molecular weight of 4975.05 g/mol. Its IUPAC name is 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-chloro-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[5-(4-fluorophenyl)-2H-pyrrol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-morpholin-4-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-piperidin-4-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(3-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide.
| Compound Name | 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-chloro-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[5-(4-fluorophenyl)-2H-pyrrol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-morpholin-4-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-piperidin-4-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(3-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide |
|---|---|
| PubChem CID | 161419114 |
| Molecular Formula | C239H220Cl16F11N55O19S |
| Molecular Weight | 4975.05 g/mol |
| Exact Mass | 4964.25 |
| IUPAC Name | 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-chloro-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[5-(4-fluorophenyl)-2H-pyrrol-4-yl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-morpholin-4-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-piperidin-4-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(3-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide |
| SMILES | Cn1nc(C(F)(F)F)c(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1Cl.NC(=O)c1c(CCC2=CCN=C2c2ccc(F)cc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCC2CCNCC2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2c(Cl)n[nH]c2C(F)(F)F)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2c(F)cccc2Cl)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccc(N3CCOCC3)nc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2cccc(Oc3ncccn3)c2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2cccnc2Cl)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2cnc(N)s2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(NCc2ccc(O)c([N+](=O)[O-])c2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(NCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n[nH]c1Cc1cccc(Cl)c1 |
| InChI | InChI=1S/C24H19ClF3N5O2.C23H20ClFN4O.2C23H20ClN5O2.C22H24ClN5O2.C19H16Cl2FN3O.C18H16Cl2F3N5O.C18H16Cl2N4O.C18H16ClN5O4.C18H23ClN4O.C17H14Cl2F3N5O.C16H16ClN5OS/c25-17-3-1-2-15(10-17)11-19-21(22(29)34)23(33-32-19)31-12-14-4-7-18(8-5-14)35-20-9-6-16(13-30-20)24(26,27)28;24-17-3-1-2-14(12-17)13-20-21(23(26)30)19(28-29-20)9-6-16-10-11-27-22(16)15-4-7-18(25)8-5-15;24-17-6-1-5-16(12-17)14-20-21(22(25)30)19(28-29-20)9-8-15-4-2-7-18(13-15)31-23-26-10-3-11-27-23;24-17-4-1-3-16(13-17)14-20-21(22(25)30)19(28-29-20)10-7-15-5-8-18(9-6-15)31-23-26-11-2-12-27-23;23-17-3-1-2-16(12-17)13-19-21(22(24)29)18(26-27-19)6-4-15-5-7-20(25-14-15)28-8-10-30-11-9-28;20-12-4-1-3-11(9-12)10-17-18(19(23)26)16(24-25-17)8-7-13-14(21)5-2-6-15(13)22;1-28-16(20)11(15(27-28)18(21,22)23)5-6-12-14(17(24)29)13(26-25-12)8-9-3-2-4-10(19)7-9;19-13-5-1-3-11(9-13)10-15-16(18(21)25)14(23-24-15)7-6-12-4-2-8-22-17(12)20;19-12-3-1-2-10(6-12)7-13-16(17(20)26)18(23-22-13)21-9-11-4-5-15(25)14(8-11)24(27)28;19-14-3-1-2-13(10-14)11-16-17(18(20)24)15(22-23-16)5-4-12-6-8-21-9-7-12;18-9-3-1-2-8(6-9)7-12-13(16(23)28)11(24-25-12)5-4-10-14(17(20,21)22)26-27-15(10)19;17-10-3-1-2-9(6-10)7-13-14(15(18)23)12(21-22-13)5-4-11-8-20-16(19)24-11/h1-10,13H,11-12H2,(H2,29,34)(H2,31,32,33);1-5,7-8,10,12H,6,9,11,13H2,(H2,26,30)(H,28,29);1-7,10-13H,8-9,14H2,(H2,25,30)(H,28,29);1-6,8-9,11-13H,7,10,14H2,(H2,25,30)(H,28,29);1-3,5,7,12,14H,4,6,8-11,13H2,(H2,24,29)(H,26,27);1-6,9H,7-8,10H2,(H2,23,26)(H,24,25);2-4,7H,5-6,8H2,1H3,(H2,24,29)(H,25,26);1-5,8-9H,6-7,10H2,(H2,21,25)(H,23,24);1-6,8,25H,7,9H2,(H2,20,26)(H2,21,22,23);1-3,10,12,21H,4-9,11H2,(H2,20,24)(H,22,23);1-3,6H,4-5,7H2,(H2,23,28)(H,24,25)(H,26,27);1-3,6,8H,4-5,7H2,(H2,18,23)(H2,19,20)(H,21,22) |
| InChIKey | VWMILLHJODKBTH-UHFFFAOYSA-N |
| XLogP | 44.87 |
| TPSA | 1188.86 Ų |
| H-Bond Donors | 30 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 81 |
| Heavy Atoms | 341 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4975.05 |
| LogP ≤ 5 | 44.87 |
| H-Bond Donors ≤ 5 | 30 |
| H-Bond Acceptors ≤ 10 | 49 |