About 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (PubChem CID 159729873) has the molecular formula C194H278ClF12N21O11
and a molecular weight of 3343.92 g/mol. Its IUPAC name is 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.
Frequently Asked Questions
What is the IUPAC name of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The IUPAC name of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (CID 159729873) is 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.
What is the SMILES notation for 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The canonical SMILES for 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is CC(C)C1CCCN1C(=O)C1CCCC1.CC(C)C1CCCN1Cc1ccccc1.CC(C)[C@@H]1CC(=O)CN1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1.CC(C)[C@@H]1C[C@H](Oc2ccccc2)CN1.CC(C)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)c1ccccc1.CC(C)c1nc2cccc3c2n1CCC3.CC(C)n1nc(C(C)(F)Cl)c2c1CCCC2.CC(C)n1nc(C(C)(F)Oc2ccccc2)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(F)(F)F)cc1C1CCCC1.CC(C)n1nc(C(F)F)c2c1C1CC1C2.CC(C)n1nc2c(c1C(F)F)CC1CC21.
What is the InChIKey of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The InChIKey is NBCIKCAGIJONOT-FUZPVQPZSA-N. The full InChI is InChI=1S/C18H23FN2O.C18H27NO3.C18H27NO2.C14H21NO.C14H21N.C13H16N2.C13H23NO.C13H19NO.C12H18ClFN2.C12H17F3N2.C11H13F3N2O.2C11H14F2N2.C9H12.C7H13NO/c1-13(2)21-16-12-8-7-11-15(16)17(20-21)18(3,19)22-14-9-5-4-6-10-14;1-13(2)16-11-15(21-14-9-7-6-8-10-14)12-19(16)17(20)22-18(3,4)5;1-13(2)15-11-12-16(14-9-7-6-8-10-14)19(15)17(20)21-18(3,4)5;1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12;1-12(2)14-9-6-10-15(14)11-13-7-4-3-5-8-13;1-9(2)13-14-11-7-3-5-10-6-4-8-15(13)12(10)11;1-10(2)12-8-5-9-14(12)13(15)11-6-3-4-7-11;1-10(2)13-8-12(9-14-13)15-11-6-4-3-5-7-11;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-8(2)17-10(9-5-3-4-6-9)7-11(16-17)12(13,14)15;1-4(2)16-8-7(5-3-6(5)9(8)17)10(15-16)11(12,13)14;1-5(2)15-10-7-3-6(7)4-8(10)9(14-15)11(12)13;1-5(2)15-10(11(12)13)8-4-6-3-7(6)9(8)14-15;1-8(2)9-6-4-3-5-7-9;1-5(2)7-3-6(9)4-8-7/h4-6,9-10,13H,7-8,11-12H2,1-3H3;6-10,13,15-16H,11-12H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;3-7,11,13-15H,8-10H2,1-2H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;10-12H,3-9H2,1-2H3;3-7,10,12-14H,8-9H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;4-6,9,17H,3H2,1-2H3;2*5-7,11H,3-4H2,1-2H3;3-8H,1-2H3;5,7-8H,3-4H2,1-2H3/t;15-,16-;15-,16+;13-,14+;;;;12-,13-;;;;;;;7-/m.011...0......0/s1.
What are the key properties of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol has a molecular weight of 3343.92 g/mol, XLogP of 47.73, 33 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-(1-chloro-1-fluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;5-cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-(1-fluoro-1-phenoxyethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;(2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;(5S)-5-propan-2-ylpyrrolidin-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is sourced from PubChem (CID 159729873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).