C197H194F6N32O19 — CID 159738630
3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-hydroxyphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 159738630) has the molecular formula C197H194F6N32O19 and a molecular weight of 3427.91 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-hydroxyphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide.
| Compound Name | 3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-hydroxyphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide |
|---|---|
| PubChem CID | 159738630 |
| Molecular Formula | C197H194F6N32O19 |
| Molecular Weight | 3427.91 g/mol |
| Exact Mass | 3425.51 |
| IUPAC Name | 3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-hydroxyphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide |
| SMILES | COc1cccc(C(=O)Nc2ccc(Cc3[nH]nc(CCc4ccc(C)cc4)c3C(N)=O)cc2)c1.COc1ccccc1C(=O)Nc1ccc(Cc2[nH]nc(CCc3ccc(C)cc3)c2C(N)=O)cc1.Cc1cc(C)cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(CO)cc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccccc4OC(F)(F)F)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1 |
| InChI | InChI=1S/C28H25F3N4O3.3C28H28N4O3.C27H23F3N4O4.C20H22N4O.2C19H20N4O/c1-17-6-8-18(9-7-17)12-15-22-25(26(32)36)23(35-34-22)16-19-10-13-20(14-11-19)33-27(37)21-4-2-3-5-24(21)38-28(29,30)31;1-18-6-8-19(9-7-18)12-15-24-26(27(29)33)25(32-31-24)16-20-10-13-22(14-11-20)30-28(34)21-4-3-5-23(17-21)35-2;1-18-7-9-19(10-8-18)13-16-23-26(27(29)33)24(32-31-23)17-20-11-14-21(15-12-20)30-28(34)22-5-3-4-6-25(22)35-2;1-18-2-4-19(5-3-18)10-15-24-26(27(29)34)25(32-31-24)16-20-8-13-23(14-9-20)30-28(35)22-11-6-21(17-33)7-12-22;28-27(29,30)38-21-3-1-2-18(15-21)26(37)32-19-9-4-17(5-10-19)14-23-24(25(31)36)22(33-34-23)13-8-16-6-11-20(35)12-7-16;1-13-8-14(2)10-15(9-13)5-6-17-19(20(21)25)18(24-23-17)11-16-4-3-7-22-12-16;2*1-13-4-6-14(7-5-13)8-9-16-18(19(20)24)17(23-22-16)11-15-3-2-10-21-12-15/h2-11,13-14H,12,15-16H2,1H3,(H2,32,36)(H,33,37)(H,34,35);3-11,13-14,17H,12,15-16H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);3-12,14-15H,13,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);2-9,11-14,33H,10,15-17H2,1H3,(H2,29,34)(H,30,35)(H,31,32);1-7,9-12,15,35H,8,13-14H2,(H2,31,36)(H,32,37)(H,33,34);3-4,7-10,12H,5-6,11H2,1-2H3,(H2,21,25)(H,23,24);2*2-7,10,12H,8-9,11H2,1H3,(H2,20,24)(H,22,23) |
| InChIKey | NCDRNZBWVFHQKO-UHFFFAOYSA-N |
| XLogP | 31.00 |
| TPSA | 835.71 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 254 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3427.91 |
| LogP ≤ 5 | 31.00 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 30 |