About 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea
1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea (PubChem CID 160575149) has the molecular formula C159H122Cl2F20N42O13
and a molecular weight of 3279.87 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea.
Frequently Asked Questions
What is the IUPAC name of 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea (CID 160575149) is 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea is COc1ccccc1-n1nccc1NC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.Cc1cc(C)c(-n2nccc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1ccc(-n2nccc2NC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C)c1.Cc1ccc(Cl)cc1-n1nccc1NC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.Cc1cccc(Cl)c1-n1nccc1NC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1.O=C(Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)Nc1ccnn1-c1ccccc1.
What is the InChIKey of 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea?
The InChIKey is RBAWIGUPNYMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N7O2.C27H19ClF5N7O2.C27H22F3N7O2.C26H19ClF3N7O2.C26H20F3N7O3.C25H18F3N7O2/c1-17-14-18(2)25(19(3)15-17)38-24(12-13-33-38)35-27(39)34-21-6-4-20(5-7-21)26-32-16-37(36-26)22-8-10-23(11-9-22)40-28(29,30)31;1-16-3-2-4-21(28)23(16)40-22(13-14-35-40)37-25(41)36-18-7-5-17(6-8-18)24-34-15-39(38-24)19-9-11-20(12-10-19)42-27(32,33)26(29,30)31;1-17-3-12-23(18(2)15-17)37-24(13-14-32-37)34-26(38)33-20-6-4-19(5-7-20)25-31-16-36(35-25)21-8-10-22(11-9-21)39-27(28,29)30;1-16-2-5-18(27)14-22(16)37-23(12-13-32-37)34-25(38)33-19-6-3-17(4-7-19)24-31-15-36(35-24)20-8-10-21(11-9-20)39-26(28,29)30;1-38-22-5-3-2-4-21(22)36-23(14-15-31-36)33-25(37)32-18-8-6-17(7-9-18)24-30-16-35(34-24)19-10-12-20(13-11-19)39-26(27,28)29;26-25(27,28)37-21-12-10-19(11-13-21)34-16-29-23(33-34)17-6-8-18(9-7-17)31-24(36)32-22-14-15-30-35(22)20-4-2-1-3-5-20/h4-16H,1-3H3,(H2,34,35,39);2-15H,1H3,(H2,36,37,41);3-16H,1-2H3,(H2,33,34,38);2-15H,1H3,(H2,33,34,38);2-16H,1H3,(H2,32,33,37);1-16H,(H2,31,32,36).
What are the key properties of 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea?
1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea has a molecular weight of 3279.87 g/mol, XLogP of 38.09, 38 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(5-chloro-2-methylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2,4-dimethylphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[2-(2-methoxyphenyl)pyrazol-3-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-(2-phenylpyrazol-3-yl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea;1-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]-3-[2-(2,4,6-trimethylphenyl)pyrazol-3-yl]urea is sourced from PubChem (CID 160575149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).