1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C107H160Cl2F6N16O10S3 — CID 162124753

About 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 162124753) has the molecular formula C107H160Cl2F6N16O10S3 and a molecular weight of 2111.65 g/mol. Its IUPAC name is 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
• PubChem CID: 162124753
• Molecular Formula: C107H160Cl2F6N16O10S3
• Molecular Weight: 2111.65 g/mol
• Exact Mass: 2109.09
• IUPAC Name: 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
• SMILES: CC(C)(C)n1ccc(C(F)(F)F)n1.CC(C)(C)n1nc(C(F)(F)F)cc1-c1cccs1.CC(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CC(C)Cc1ccccc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NC(=O)c1ccccc1O.CC1CCN(C(C)C)CC1.COc1cc(NS(=O)(=O)C(C)C)nc(C)n1.Cc1cc(C)nc(SC(C)C)n1.Cc1ccc(N2CC(=O)N(C(C)C)C2=O)cc1C.O=C=O
• InChI: InChI=1S/C14H18N2O2.C12H13F3N2S.C10H11Cl2NO.C10H13NO2.C10H14.C9H15N3O3S.C9H14N2S.C9H19N.C8H11F3N2.C8H17N.C7H15N.CO2/c1-9(2)16-13(17)8-15(14(16)18)12-6-5-10(3)11(4)7-12;1-11(2,3)17-8(9-5-4-6-18-9)7-10(16-17)12(13,14)15;1-6(2)10(14)13-7-3-4-8(11)9(12)5-7;1-7(2)11-10(13)8-5-3-4-6-9(8)12;1-9(2)8-10-6-4-3-5-7-10;1-6(2)16(13,14)12-8-5-9(15-4)11-7(3)10-8;1-6(2)12-9-10-7(3)5-8(4)11-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2,3)13-5-4-6(12-13)8(9,10)11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;2-1-3/h5-7,9H,8H2,1-4H3;4-7H,1-3H3;3-6H,1-2H3,(H,13,14);3-7,12H,1-2H3,(H,11,13);3-7,9H,8H2,1-2H3;5-6H,1-4H3,(H,10,11,12);5-6H,1-4H3;8-9H,4-7H2,1-3H3;4-5H,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
• InChIKey: ZHWKOUOHZBVOCR-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 305.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.65
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The IUPAC name of 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 162124753) is 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

What is the SMILES notation for 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The canonical SMILES for 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)(C)n1ccc(C(F)(F)F)n1.CC(C)(C)n1nc(C(F)(F)F)cc1-c1cccs1.CC(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CC(C)Cc1ccccc1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NC(=O)c1ccccc1O.CC1CCN(C(C)C)CC1.COc1cc(NS(=O)(=O)C(C)C)nc(C)n1.Cc1cc(C)nc(SC(C)C)n1.Cc1ccc(N2CC(=O)N(C(C)C)C2=O)cc1C.O=C=O.

What is the InChIKey of 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The InChIKey is ZHWKOUOHZBVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C12H13F3N2S.C10H11Cl2NO.C10H13NO2.C10H14.C9H15N3O3S.C9H14N2S.C9H19N.C8H11F3N2.C8H17N.C7H15N.CO2/c1-9(2)16-13(17)8-15(14(16)18)12-6-5-10(3)11(4)7-12;1-11(2,3)17-8(9-5-4-6-18-9)7-10(16-17)12(13,14)15;1-6(2)10(14)13-7-3-4-8(11)9(12)5-7;1-7(2)11-10(13)8-5-3-4-6-9(8)12;1-9(2)8-10-6-4-3-5-7-10;1-6(2)16(13,14)12-8-5-9(15-4)11-7(3)10-8;1-6(2)12-9-10-7(3)5-8(4)11-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2,3)13-5-4-6(12-13)8(9,10)11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;2-1-3/h5-7,9H,8H2,1-4H3;4-7H,1-3H3;3-6H,1-2H3,(H,13,14);3-7,12H,1-2H3,(H,11,13);3-7,9H,8H2,1-2H3;5-6H,1-4H3,(H,10,11,12);5-6H,1-4H3;8-9H,4-7H2,1-3H3;4-5H,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;.

What are the key properties of 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 2111.65 g/mol, XLogP of 25.98, 18 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 162124753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).