About 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]
4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] (PubChem CID 158944475) has the molecular formula C134H174BrF30N23O6
and a molecular weight of 2852.86 g/mol. Its IUPAC name is 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane].
Frequently Asked Questions
What is the IUPAC name of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?
The IUPAC name of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] (CID 158944475) is 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane].
What is the SMILES notation for 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?
The canonical SMILES for 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] is CC(C)C1=CC(=O)CC=C1.CC(C)n1cc(C2CC2)c(C(F)(F)F)n1.CC(C)n1cnc2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CCC2.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC21CC1.CC(C)n1nc(C(F)(F)F)c2c1CCN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2=O.CCc1c(C#CC(C)(C)C)c(C(F)(F)F)nn1C(C)C.Cc1c(Br)c(C(F)(F)F)nn1C(C)C.Cc1cc2ncn(C(C)C)c2cc1C.
What is the InChIKey of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?
The InChIKey is JKQNPMHDRQQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2.C15H21F3N2.C13H17F3N2.C12H16N2.C11H12F4N2O.C11H13F3N2O.C10H11F5N2.C10H11F3N2O.C10H13F3N2.C10H16N2.C9H12O.C8H10BrF3N2/c1-9(2)21-11-6-7-20(13(22)23-14(3,4)5)8-10(11)12(19-21)15(16,17)18;1-7-12-11(8-9-14(4,5)6)13(15(16,17)18)19-20(12)10(2)3;1-8(2)18-9-4-3-5-12(6-7-12)10(9)11(17-18)13(14,15)16;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-5(2)17-9-7(8(16-17)10(12)13)6(18)3-4-11(9,14)15;1-6(2)16-9-7(4-3-5-8(9)17)10(15-16)11(12,13)14;1-5(2)17-8-6(3-4-9(8,11)12)7(16-17)10(13,14)15;1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13;1-6(2)15-5-8(7-3-4-7)9(14-15)10(11,12)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-4-3-5-9(10)6-8;1-4(2)14-5(3)6(9)7(13-14)8(10,11)12/h9H,6-8H2,1-5H3;10H,7H2,1-6H3;8H,3-7H2,1-2H3;5-8H,1-4H3;5,10H,3-4H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;5H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;3-4,6-7H,5H2,1-2H3;4H,1-3H3.
What are the key properties of 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]?
4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] has a molecular weight of 2852.86 g/mol, XLogP of 39.26, 15 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;6,6-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane] is sourced from PubChem (CID 158944475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).