2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole

C142H145F13N14 — CID 167590676

About 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole

2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 167590676) has the molecular formula C142H145F13N14 and a molecular weight of 2294.79 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

• Compound Name: 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
• PubChem CID: 167590676
• Molecular Formula: C142H145F13N14
• Molecular Weight: 2294.79 g/mol
• Exact Mass: 2293.16
• IUPAC Name: 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(C)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1cc(C(F)(F)F)ccc1C)C2(C)C.[C-]#[N+]C1=CCc2cccc(-c3c4c(nn3-c3c(CC)cccc3CC)C(C)(C)N(Cc3ccc(C(F)(F)F)cc3C)C4)c21
• InChI: InChI=1S/C36H35F3N4.C36H38F3N3.C35H36F4N4.C35H36F3N3/c1-7-23-11-9-12-24(8-2)32(23)43-33(28-14-10-13-25-16-18-30(40-6)31(25)28)29-21-42(35(4,5)34(29)41-43)20-26-15-17-27(19-22(26)3)36(37,38)39;1-7-24-11-9-12-25(8-2)32(24)42-33(29-14-10-13-26-16-15-22(3)31(26)29)30-21-41(35(5,6)34(30)40-42)20-27-17-18-28(19-23(27)4)36(37,38)39;1-7-22-10-9-11-23(8-2)31(22)43-32(29-26-14-15-40-30(26)21(4)17-28(29)36)27-19-42(34(5,6)33(27)41-43)18-24-12-13-25(16-20(24)3)35(37,38)39;1-6-23-11-8-12-24(7-2)31(23)41-32(29-16-10-14-25-13-9-15-28(25)29)30-21-40(34(4,5)33(30)39-41)20-26-19-27(35(36,37)38)18-17-22(26)3/h9-15,17-19H,7-8,16,20-21H2,1-5H3;9-15,17-19H,7-8,16,20-21H2,1-6H3;9-17,40H,7-8,18-19H2,1-6H3;8-12,14-19H,6-7,13,20-21H2,1-5H3
• InChIKey: IJVGMYKPSKBAEO-UHFFFAOYSA-N
• XLogP: 36.24
• TPSA: 104.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.79
LogP ≤ 5	36.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

The IUPAC name of 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole (CID 167590676) is 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole.

What is the SMILES notation for 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

The canonical SMILES for 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole is CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(C)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1cc(C(F)(F)F)ccc1C)C2(C)C.[C-]#[N+]C1=CCc2cccc(-c3c4c(nn3-c3c(CC)cccc3CC)C(C)(C)N(Cc3ccc(C(F)(F)F)cc3C)C4)c21.

What is the InChIKey of 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

The InChIKey is IJVGMYKPSKBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F3N4.C36H38F3N3.C35H36F4N4.C35H36F3N3/c1-7-23-11-9-12-24(8-2)32(23)43-33(28-14-10-13-25-16-18-30(40-6)31(25)28)29-21-42(35(4,5)34(29)41-43)20-26-15-17-27(19-22(26)3)36(37,38)39;1-7-24-11-9-12-25(8-2)32(24)42-33(29-14-10-13-26-16-15-22(3)31(26)29)30-21-41(35(5,6)34(30)40-42)20-27-17-18-28(19-23(27)4)36(37,38)39;1-7-22-10-9-11-23(8-2)31(22)43-32(29-26-14-15-40-30(26)21(4)17-28(29)36)27-19-42(34(5,6)33(27)41-43)18-24-12-13-25(16-20(24)3)35(37,38)39;1-6-23-11-8-12-24(7-2)31(23)41-32(29-16-10-14-25-13-9-15-28(25)29)30-21-40(34(4,5)33(30)39-41)20-26-19-27(35(36,37)38)18-17-22(26)3/h9-15,17-19H,7-8,16,20-21H2,1-5H3;9-15,17-19H,7-8,16,20-21H2,1-6H3;9-17,40H,7-8,18-19H2,1-6H3;8-12,14-19H,6-7,13,20-21H2,1-5H3.

What are the key properties of 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 2294.79 g/mol, XLogP of 36.24, 24 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 167590676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).