C289H290Cl9F2N61O20S — CID 158859309
3-[2-(2-amino-1,3-thiazol-5-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-cyclohexylethyl)-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-methyl-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(4-fluoro-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxyphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 158859309) has the molecular formula C289H290Cl9F2N61O20S and a molecular weight of 5327.05 g/mol. Its IUPAC name is 3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-chloro-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-cyclohexylethyl)-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-methyl-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(4-fluoro-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxyphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.
| Compound Name | 3-[2-(2-amino-1,3-thiazol-5-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-cyclohexylethyl)-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-methyl-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(4-fluoro-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxyphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide |
|---|---|
| PubChem CID | 158859309 |
| Molecular Formula | C289H290Cl9F2N61O20S |
| Molecular Weight | 5327.05 g/mol |
| Exact Mass | 5319.04 |
| IUPAC Name | 3-[2-(2-amino-1,3-thiazol-5-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-cyclohexylethyl)-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-methyl-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-pyrimidin-2-yloxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(4-fluoro-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxyphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide |
| SMILES | CCOc1ccc2ccccc2c1CCc1n[nH]c(Cc2cccnc2)c1C(N)=O.CN(C)c1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c2ccccc12.Cc1cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)ccc1F.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1C.Cc1ccc(CNc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1[N+](=O)[O-].Cc1ccc(Oc2ccc(CNc3n[nH]c(Cc4cccc(Cl)c4)c3C(N)=O)cc2)nc1.Cc1cccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.NC(=O)c1c(CCC2=CCN=C2c2ccc(F)cc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCC2CCCCC2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccc(N3CCCCC3)nc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccccc2O)n[nH]c1Cc1cccnc1.NC(=O)c1c(CCc2cccnc2Cl)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2cnc(N)s2)n[nH]c1Cc1cccc(Cl)c1 |
| InChI | InChI=1S/C24H22ClN5O2.C24H25N5O.C24H24N4O2.C23H20ClFN4O.C23H20ClN5O2.C23H26ClN5O.C20H22N4O.C19H18ClN5O3.C19H24ClN3O.C19H19FN4O.C19H20N4O.C18H16Cl2N4O.C18H18N4O2.C16H16ClN5OS/c1-15-5-10-21(27-13-15)32-19-8-6-16(7-9-19)14-28-24-22(23(26)31)20(29-30-24)12-17-3-2-4-18(25)11-17;1-29(2)22-12-10-17(18-7-3-4-8-19(18)22)9-11-20-23(24(25)30)21(28-27-20)14-16-6-5-13-26-15-16;1-2-30-22-12-9-17-7-3-4-8-18(17)19(22)10-11-20-23(24(25)29)21(28-27-20)14-16-6-5-13-26-15-16;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;24-17-4-1-3-16(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;24-18-6-4-5-17(13-18)14-20-22(23(25)30)19(27-28-20)9-7-16-8-10-21(26-15-16)29-11-2-1-3-12-29;1-13-5-6-15(10-14(13)2)7-8-17-19(20(21)25)18(24-23-17)11-16-4-3-9-22-12-16;1-11-5-6-13(9-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)8-12-3-2-4-14(20)7-12;20-15-8-4-7-14(11-15)12-17-18(19(21)24)16(22-23-17)10-9-13-5-2-1-3-6-13;1-12-9-13(4-6-15(12)20)5-7-16-18(19(21)25)17(24-23-16)10-14-3-2-8-22-11-14;1-13-4-2-5-14(10-13)7-8-16-18(19(20)24)17(23-22-16)11-15-6-3-9-21-12-15;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;19-18(24)17-14(8-7-13-5-1-2-6-16(13)23)21-22-15(17)10-12-4-3-9-20-11-12;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/h2-11,13H,12,14H2,1H3,(H2,26,31)(H2,28,29,30);3-8,10,12-13,15H,9,11,14H2,1-2H3,(H2,25,30)(H,27,28);3-9,12-13,15H,2,10-11,14H2,1H3,(H2,25,29)(H,27,28);1-5,7-8,10,12H,6,9,11,13H2,(H2,26,30)(H,28,29);1-6,8-9,11-13H,7,10,14H2,(H2,25,30)(H,28,29);4-6,8,10,13,15H,1-3,7,9,11-12,14H2,(H2,25,30)(H,27,28);3-6,9-10,12H,7-8,11H2,1-2H3,(H2,21,25)(H,23,24);2-7,9H,8,10H2,1H3,(H2,21,26)(H2,22,23,24);4,7-8,11,13H,1-3,5-6,9-10,12H2,(H2,21,24)(H,22,23);2-4,6,8-9,11H,5,7,10H2,1H3,(H2,21,25)(H,23,24);2-6,9-10,12H,7-8,11H2,1H3,(H2,20,24)(H,22,23);1-5,8-9H,6-7,10H2,(H2,21,25)(H,23,24);1-6,9,11,23H,7-8,10H2,(H2,19,24)(H,21,22);1-3,6,8H,4-5,7H2,(H2,18,23)(H2,19,20)(H,21,22) |
| InChIKey | JALNEWYQQKVJMA-UHFFFAOYSA-N |
| XLogP | 48.70 |
| TPSA | 1319.44 Ų |
| H-Bond Donors | 32 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 94 |
| Heavy Atoms | 382 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5327.05 |
| LogP ≤ 5 | 48.70 |
| H-Bond Donors ≤ 5 | 32 |
| H-Bond Acceptors ≤ 10 | 53 |