3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole

C₁₆₅H₂₀₆F₆N₁₆O₅S — CID 158905619

About 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole

3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 158905619) has the molecular formula C₁₆₅H₂₀₆F₆N₁₆O₅S and a molecular weight of 2639.62 g/mol. Its IUPAC name is 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

• Compound Name: 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
• PubChem CID: 158905619
• Molecular Formula: C₁₆₅H₂₀₆F₆N₁₆O₅S
• Molecular Weight: 2639.62 g/mol
• Exact Mass: 2637.60
• IUPAC Name: 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
• SMILES: CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)c1ccc(-c2cn(C)nc2C(F)(F)F)cc1.CC(C)c1ccc(-c2cncs2)cc1.CC(C)c1ccc(-c2cnn(CC(F)(F)F)c2)cc1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cccc(-c2ccncc2)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1cccc(C(C)(C)C)c1.COCCNC(=O)c1cccc(C(C)(C)C)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)c(C)n1.Cc1ccncc1-c1ccc(C(C)(C)C)cc1.Cc1nn(C)cc1-c1ccc(C(C)C)cc1
• InChI: InChI=1S/C17H21N.C16H19N.2C14H15F3N2.C14H18N2.C14H21NO2.C14H19NO.C14H15N.C13H19NO.C12H17NO.C12H13NS.C11H14N2/c1-12-6-11-16(13(2)18-12)14-7-9-15(10-8-14)17(3,4)5;1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4;1-9(2)10-4-6-11(7-5-10)12-8-19(3)18-13(12)14(15,16)17;1-10(2)11-3-5-12(6-4-11)13-7-18-19(8-13)9-14(15,16)17;1-10(2)12-5-7-13(8-6-12)14-9-16(4)15-11(14)3;1-14(2,3)12-7-5-6-11(10-12)13(16)15-8-9-17-4;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11/h6-11H,1-5H3;5-11H,1-4H3;4-9H,1-3H3;3-8,10H,9H2,1-2H3;5-10H,1-4H3;5-7,10H,8-9H2,1-4H3,(H,15,16);4-6,9,12H,7-8H2,1-3H3,(H,15,16);3-11H,1-2H3;6-9H,1-5H3;5-8H,1-4H3,(H,13,14);3-9H,1-2H3;4-8H,1-3H3
• InChIKey: JFZVAOLAXDHASH-UHFFFAOYSA-N
• XLogP: 41.77
• TPSA: 239.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2639.62
LogP ≤ 5	41.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

The IUPAC name of 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 158905619) is 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.

What is the SMILES notation for 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

The canonical SMILES for 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)c1ccc(-c2cn(C)nc2C(F)(F)F)cc1.CC(C)c1ccc(-c2cncs2)cc1.CC(C)c1ccc(-c2cnn(CC(F)(F)F)c2)cc1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cccc(-c2ccncc2)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1cccc(C(C)(C)C)c1.COCCNC(=O)c1cccc(C(C)(C)C)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)c(C)n1.Cc1ccncc1-c1ccc(C(C)(C)C)cc1.Cc1nn(C)cc1-c1ccc(C(C)C)cc1.

What is the InChIKey of 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

The InChIKey is JFZVAOLAXDHASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C16H19N.2C14H15F3N2.C14H18N2.C14H21NO2.C14H19NO.C14H15N.C13H19NO.C12H17NO.C12H13NS.C11H14N2/c1-12-6-11-16(13(2)18-12)14-7-9-15(10-8-14)17(3,4)5;1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4;1-9(2)10-4-6-11(7-5-10)12-8-19(3)18-13(12)14(15,16)17;1-10(2)11-3-5-12(6-4-11)13-7-18-19(8-13)9-14(15,16)17;1-10(2)12-5-7-13(8-6-12)14-9-16(4)15-11(14)3;1-14(2,3)12-7-5-6-11(10-12)13(16)15-8-9-17-4;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-12(2,3)10-7-5-6-9(8-10)11(14)13-4;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11/h6-11H,1-5H3;5-11H,1-4H3;4-9H,1-3H3;3-8,10H,9H2,1-2H3;5-10H,1-4H3;5-7,10H,8-9H2,1-4H3,(H,15,16);4-6,9,12H,7-8H2,1-3H3,(H,15,16);3-11H,1-2H3;6-9H,1-5H3;5-8H,1-4H3,(H,13,14);3-9H,1-2H3;4-8H,1-3H3.

What are the key properties of 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?

3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 2639.62 g/mol, XLogP of 41.77, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 158905619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158905619 — identifiers, structure, computed properties (public domain)

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