tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

C136H183F10N23O8 — CID 161283835

About tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 161283835) has the molecular formula C136H183F10N23O8 and a molecular weight of 2458.09 g/mol. Its IUPAC name is tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

• Compound Name: tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
• PubChem CID: 161283835
• Molecular Formula: C136H183F10N23O8
• Molecular Weight: 2458.09 g/mol
• Exact Mass: 2456.45
• IUPAC Name: tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
• SMILES: C=C1C=CC(n2cccn2)=NN1C(C)C.CC(C)C1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CC(c2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)c1nc2cccc3c2n1CCC3.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1ccnc1-c1ccccc1.CC(C)n1nc(C(F)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
• InChI: InChI=1S/C19H29NO3.C18H27NO2.C17H21F2N3O.C15H20N4O.C13H16N2.C12H14N2.C11H13F5N2.C11H14N4.C10H13F3N2.C10H16N2O/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;1-12(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;1-9(2)13-14-11-7-3-5-10-6-4-8-15(13)12(10)11;1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;1-6(2)18-8-3-4-10(12,13)5-7(8)9(17-18)11(14,15)16;1-9(2)15-10(3)5-6-11(13-15)14-8-4-7-12-14;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12/h6-10,14,16-17H,11-13H2,1-5H3;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;3,5,7,9H,4,6,8H2,1-2H3;3-10H,1-2H3;6H,3-5H2,1-2H3;4-9H,3H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3,(H,11,13)
• InChIKey: VFLJQPYCCJFKSB-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 303.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.09
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?

The IUPAC name of tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 161283835) is tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

What is the SMILES notation for tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?

The canonical SMILES for tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is C=C1C=CC(n2cccn2)=NN1C(C)C.CC(C)C1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CC(c2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)c1nc2cccc3c2n1CCC3.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1ccnc1-c1ccccc1.CC(C)n1nc(C(F)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2.

What is the InChIKey of tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?

The InChIKey is VFLJQPYCCJFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3.C18H27NO2.C17H21F2N3O.C15H20N4O.C13H16N2.C12H14N2.C11H13F5N2.C11H14N4.C10H13F3N2.C10H16N2O/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;1-12(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;1-9(2)13-14-11-7-3-5-10-6-4-8-15(13)12(10)11;1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;1-6(2)18-8-3-4-10(12,13)5-7(8)9(17-18)11(14,15)16;1-9(2)15-10(3)5-6-11(13-15)14-8-4-7-12-14;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12/h6-10,14,16-17H,11-13H2,1-5H3;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;3,5,7,9H,4,6,8H2,1-2H3;3-10H,1-2H3;6H,3-5H2,1-2H3;4-9H,3H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3,(H,11,13).

What are the key properties of tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?

tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 2458.09 g/mol, XLogP of 31.68, 22 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 161283835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).