5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen

C130H140Cl2F9N15O2 — CID 159789586

About 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen

5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen (PubChem CID 159789586) has the molecular formula C130H140Cl2F9N15O2 and a molecular weight of 2186.54 g/mol. Its IUPAC name is 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen
• PubChem CID: 159789586
• Molecular Formula: C130H140Cl2F9N15O2
• Molecular Weight: 2186.54 g/mol
• Exact Mass: 2184.05
• IUPAC Name: 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(C(=O)OC(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1cc(Cl)ccc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccccc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C2(C)C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C35H33F6N3.C33H33F3N4.C32H32Cl2N4.C30H36N4O2.3H2/c1-5-21-10-7-11-22(6-2)30(21)44-31(27-15-9-13-23-12-8-14-26(23)27)28-20-43(33(3,4)32(28)42-44)19-24-16-17-25(34(36,37)38)18-29(24)35(39,40)41;1-5-21-11-9-12-22(6-2)29(21)40-30(24-14-15-28-23(18-24)16-17-37-28)26-20-39(32(3,4)31(26)38-40)19-25-10-7-8-13-27(25)33(34,35)36;1-5-20-8-7-9-21(6-2)29(20)38-30(23-10-13-28-22(16-23)14-15-35-28)26-19-37(32(3,4)31(26)36-38)18-24-17-25(33)11-12-27(24)34;1-8-19-11-10-12-20(9-2)25(19)34-26(22-13-14-24-21(17-22)15-16-31-24)23-18-33(28(35)36-29(3,4)5)30(6,7)27(23)32-34;;;/h7-11,13-18H,5-6,12,19-20H2,1-4H3;7-18,37H,5-6,19-20H2,1-4H3;7-17,35H,5-6,18-19H2,1-4H3;10-17,31H,8-9,18H2,1-7H3;3*1H
• InChIKey: NIJQCPLBQOGXQD-UHFFFAOYSA-N
• XLogP: 34.51
• TPSA: 157.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2186.54
LogP ≤ 5	34.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen?

The IUPAC name of 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen (CID 159789586) is 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen.

What is the SMILES notation for 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen?

The canonical SMILES for 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(C(=O)OC(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1cc(Cl)ccc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccccc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C2(C)C.[H][H].[H][H].[H][H].

What is the InChIKey of 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen?

The InChIKey is NIJQCPLBQOGXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F6N3.C33H33F3N4.C32H32Cl2N4.C30H36N4O2.3H2/c1-5-21-10-7-11-22(6-2)30(21)44-31(27-15-9-13-23-12-8-14-26(23)27)28-20-43(33(3,4)32(28)42-44)19-24-16-17-25(34(36,37)38)18-29(24)35(39,40)41;1-5-21-11-9-12-22(6-2)29(21)40-30(24-14-15-28-23(18-24)16-17-37-28)26-20-39(32(3,4)31(26)38-40)19-25-10-7-8-13-27(25)33(34,35)36;1-5-20-8-7-9-21(6-2)29(20)38-30(23-10-13-28-22(16-23)14-15-35-28)26-19-37(32(3,4)31(26)36-38)18-24-17-25(33)11-12-27(24)34;1-8-19-11-10-12-20(9-2)25(19)34-26(22-13-14-24-21(17-22)15-16-31-24)23-18-33(28(35)36-29(3,4)5)30(6,7)27(23)32-34;;;/h7-11,13-18H,5-6,12,19-20H2,1-4H3;7-18,37H,5-6,19-20H2,1-4H3;7-17,35H,5-6,18-19H2,1-4H3;10-17,31H,8-9,18H2,1-7H3;3*1H.

What are the key properties of 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen?

5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen has a molecular weight of 2186.54 g/mol, XLogP of 34.51, 22 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;tert-butyl 2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate;5-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;molecular hydrogen is sourced from PubChem (CID 159789586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).