tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole

C143H200F5N21O14 — CID 159529976

About tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole

tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole (PubChem CID 159529976) has the molecular formula C143H200F5N21O14 and a molecular weight of 2532.30 g/mol. Its IUPAC name is tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole.

Molecular Properties

• Compound Name: tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
• PubChem CID: 159529976
• Molecular Formula: C143H200F5N21O14
• Molecular Weight: 2532.30 g/mol
• Exact Mass: 2530.55
• IUPAC Name: tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
• SMILES: CC(C)C1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CC(c2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CCC(=O)N1C(=O)OC(C)(C)C.CC(C)C1CCC(c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)c1[nH]nc2ccc(C(F)(F)F)cc12.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1ccnc1-c1ccccc1.CC(C)n1nc(-n2cccn2)ccc1=O.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
• InChI: InChI=1S/C19H29NO3.2C18H27NO2.C17H21F2N3O.C15H20N4O.C12H14N2.C12H21NO3.C11H11F3N2.C11H18N2O.C10H12N4O/c1-14(2)17-11-16(22-13-15-9-7-6-8-10-15)12-20(17)18(21)23-19(3,4)5;1-13(2)16-11-15(14-9-7-6-8-10-14)12-19(16)17(20)21-18(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;1-12(2)22-16(14-8-3-4-9-15(14)21-22)17(18,19)23-11-13-7-5-6-10-20-13;1-11(2)19-13-7-4-3-6-12(13)15(18-19)20-10-14-16-8-5-9-17-14;1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;1-8(2)9-6-7-10(14)13(9)11(15)16-12(3,4)5;1-6(2)10-8-5-7(11(12,13)14)3-4-9(8)15-16-10;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;1-8(2)14-10(15)5-4-9(12-14)13-7-3-6-11-13/h6-10,14,16-17H,11-13H2,1-5H3;2*6-10,13,15-16H,11-12H2,1-5H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5,8-9,11H,3-4,6-7,10H2,1-2H3;3-10H,1-2H3;8-9H,6-7H2,1-5H3;3-6H,1-2H3,(H,15,16);8H,4-7H2,1-3H3;3-8H,1-2H3
• InChIKey: MCWHNVAOXPJLLP-UHFFFAOYSA-N
• XLogP: 32.23
• TPSA: 363.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2532.30
LogP ≤ 5	32.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?

The IUPAC name of tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole (CID 159529976) is tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole.

What is the SMILES notation for tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?

The canonical SMILES for tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole is CC(C)C1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CC(c2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CCC(=O)N1C(=O)OC(C)(C)C.CC(C)C1CCC(c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)c1[nH]nc2ccc(C(F)(F)F)cc12.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1ccnc1-c1ccccc1.CC(C)n1nc(-n2cccn2)ccc1=O.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2.

What is the InChIKey of tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?

The InChIKey is MCWHNVAOXPJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3.2C18H27NO2.C17H21F2N3O.C15H20N4O.C12H14N2.C12H21NO3.C11H11F3N2.C11H18N2O.C10H12N4O/c1-14(2)17-11-16(22-13-15-9-7-6-8-10-15)12-20(17)18(21)23-19(3,4)5;1-13(2)16-11-15(14-9-7-6-8-10-14)12-19(16)17(20)21-18(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;1-12(2)22-16(14-8-3-4-9-15(14)21-22)17(18,19)23-11-13-7-5-6-10-20-13;1-11(2)19-13-7-4-3-6-12(13)15(18-19)20-10-14-16-8-5-9-17-14;1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;1-8(2)9-6-7-10(14)13(9)11(15)16-12(3,4)5;1-6(2)10-8-5-7(11(12,13)14)3-4-9(8)15-16-10;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;1-8(2)14-10(15)5-4-9(12-14)13-7-3-6-11-13/h6-10,14,16-17H,11-13H2,1-5H3;2*6-10,13,15-16H,11-12H2,1-5H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5,8-9,11H,3-4,6-7,10H2,1-2H3;3-10H,1-2H3;8-9H,6-7H2,1-5H3;3-6H,1-2H3,(H,15,16);8H,4-7H2,1-3H3;3-8H,1-2H3.

What are the key properties of tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?

tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole has a molecular weight of 2532.30 g/mol, XLogP of 32.23, 24 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 159529976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).