1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole

C159H232F6N16O12S — CID 159635540

About 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole

1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole (PubChem CID 159635540) has the molecular formula C159H232F6N16O12S and a molecular weight of 2705.76 g/mol. Its IUPAC name is 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
• PubChem CID: 159635540
• Molecular Formula: C159H232F6N16O12S
• Molecular Weight: 2705.76 g/mol
• Exact Mass: 2703.77
• IUPAC Name: 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
• SMILES: CC(C)(C)CCN1C(=O)NC2(CCCCC2)C1=O.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(Nc2ncccn2)c1.CC(C)(C)c1nccc2ccccc12.CC(OCC1CC1)C(C)(C)C.COc1cc(C(C)(C)C)ccc1OCC(N)=O.COc1ccc(CCC(C)(C)C)cc1OC.Cc1c(C(C)(C)C)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(C)(C)C.Cc1nn(C)c(C)c1CC(C)(C)C.Cc1noc(C)c1COc1cccc(CC(C)(C)C)c1.Cn1ccnc1COc1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C17H23NO2.C15H20N2O.C14H16F3N3.C14H17N3.C14H24N2O2.C14H22O2.C13H19NO3.C13H15N.C12H15F3O.C12H21NS.C11H20N2.C10H20O/c1-12-16(13(2)20-18-12)11-19-15-8-6-7-14(9-15)10-17(3,4)5;1-15(2,3)12-5-7-13(8-6-12)18-11-14-16-9-10-17(14)4;1-9-11(13(2,3)4)8-19-20(9)12-6-5-10(7-18-12)14(15,16)17;1-14(2,3)11-6-4-7-12(10-11)17-13-15-8-5-9-16-13;1-13(2,3)9-10-16-11(17)14(15-12(16)18)7-5-4-6-8-14;1-14(2,3)9-8-11-6-7-12(15-4)13(10-11)16-5;1-13(2,3)9-5-6-10(11(7-9)16-4)17-8-12(14)15;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;1-8(2)7-10-13-9(3)11(14-10)12(4,5)6;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-8(10(2,3)4)11-7-9-5-6-9/h6-9H,10-11H2,1-5H3;5-10H,11H2,1-4H3;5-8H,1-4H3;4-10H,1-3H3,(H,15,16,17);4-10H2,1-3H3,(H,15,18);6-7,10H,8-9H2,1-5H3;5-7H,8H2,1-4H3,(H2,14,15);4-9H,1-3H3;4-7H,8H2,1-3H3;8H,7H2,1-6H3;7H2,1-6H3;8-9H,5-7H2,1-4H3
• InChIKey: MPRRNQQYSYWZEL-UHFFFAOYSA-N
• XLogP: 40.51
• TPSA: 322.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2705.76
LogP ≤ 5	40.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?

The IUPAC name of 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole (CID 159635540) is 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole.

What is the SMILES notation for 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?

The canonical SMILES for 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole is CC(C)(C)CCN1C(=O)NC2(CCCCC2)C1=O.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(Nc2ncccn2)c1.CC(C)(C)c1nccc2ccccc12.CC(OCC1CC1)C(C)(C)C.COc1cc(C(C)(C)C)ccc1OCC(N)=O.COc1ccc(CCC(C)(C)C)cc1OC.Cc1c(C(C)(C)C)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(C)(C)C.Cc1nn(C)c(C)c1CC(C)(C)C.Cc1noc(C)c1COc1cccc(CC(C)(C)C)c1.Cn1ccnc1COc1ccc(C(C)(C)C)cc1.

What is the InChIKey of 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?

The InChIKey is MPRRNQQYSYWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2.C15H20N2O.C14H16F3N3.C14H17N3.C14H24N2O2.C14H22O2.C13H19NO3.C13H15N.C12H15F3O.C12H21NS.C11H20N2.C10H20O/c1-12-16(13(2)20-18-12)11-19-15-8-6-7-14(9-15)10-17(3,4)5;1-15(2,3)12-5-7-13(8-6-12)18-11-14-16-9-10-17(14)4;1-9-11(13(2,3)4)8-19-20(9)12-6-5-10(7-18-12)14(15,16)17;1-14(2,3)11-6-4-7-12(10-11)17-13-15-8-5-9-16-13;1-13(2,3)9-10-16-11(17)14(15-12(16)18)7-5-4-6-8-14;1-14(2,3)9-8-11-6-7-12(15-4)13(10-11)16-5;1-13(2,3)9-5-6-10(11(7-9)16-4)17-8-12(14)15;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;1-8(2)7-10-13-9(3)11(14-10)12(4,5)6;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-8(10(2,3)4)11-7-9-5-6-9/h6-9H,10-11H2,1-5H3;5-10H,11H2,1-4H3;5-8H,1-4H3;4-10H,1-3H3,(H,15,16,17);4-10H2,1-3H3,(H,15,18);6-7,10H,8-9H2,1-5H3;5-7H,8H2,1-4H3,(H2,14,15);4-9H,1-3H3;4-7H,8H2,1-3H3;8H,7H2,1-6H3;7H2,1-6H3;8-9H,5-7H2,1-4H3.

What are the key properties of 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole?

1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole has a molecular weight of 2705.76 g/mol, XLogP of 40.51, 28 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylisoquinoline;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;4-[[3-(2,2-dimethylpropyl)phenoxy]methyl]-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 159635540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).