3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine

C181H251FN16O14S2 — CID 158247924

About 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine

3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine (PubChem CID 158247924) has the molecular formula C181H251FN16O14S2 and a molecular weight of 2958.23 g/mol. Its IUPAC name is 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine.

Molecular Properties

• Compound Name: 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine
• PubChem CID: 158247924
• Molecular Formula: C181H251FN16O14S2
• Molecular Weight: 2958.23 g/mol
• Exact Mass: 2955.88
• IUPAC Name: 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine
• SMILES: CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)c1ccc(OCc2ccccc2)nc1.CC(C)OC(C)c1ccccn1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CC(C)c1cnn(C(C)(C)CO)c1.CCOCCn1c(C(C)(C)C)cc2ccccc21.CNC(=O)c1cccc(C(C)C)c1.COCCn1c(C(C)(C)C)cc2ccccc21.Cc1ccc(C(C)C)cc1F.Cc1nn([C@@H](C)c2ccccc2)cc1C(C)C
• InChI: InChI=1S/C16H19NO.C16H23NO.C15H20N2.C15H21NO.C14H18N2.C12H18N2O.C12H16O.C11H15NO.C11H15N.C11H14O2.C10H13F.C10H18N2O.C10H15NO.2C9H13NO2S/c1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13;1-5-18-11-10-17-14-9-7-6-8-13(14)12-15(17)16(2,3)4;1-11(2)15-10-17(16-12(15)3)13(4)14-8-6-5-7-9-14;1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)12-9(3)10-6-4-5-7-11-10;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h4-11H,12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-11,13H,1-4H3;5-8,11H,9-10H2,1-4H3;4-8,10-11H,9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-8H,1-3H3,(H,12,13);4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;5-6,8,13H,7H2,1-4H3;4-9H,1-3H3;2*3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;8-7+;;;;;;/t;;13-;;;;;;;;;;;;/m..0............/s1
• InChIKey: GGIWSQKFJVQBDK-OQYRPQLYSA-N
• XLogP: 41.93
• TPSA: 369.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2958.23
LogP ≤ 5	41.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

The IUPAC name of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine (CID 158247924) is 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine.

What is the SMILES notation for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

The canonical SMILES for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine is CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)c1ccc(OCc2ccccc2)nc1.CC(C)OC(C)c1ccccn1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CC(C)c1cnn(C(C)(C)CO)c1.CCOCCn1c(C(C)(C)C)cc2ccccc21.CNC(=O)c1cccc(C(C)C)c1.COCCn1c(C(C)(C)C)cc2ccccc21.Cc1ccc(C(C)C)cc1F.Cc1nn([C@@H](C)c2ccccc2)cc1C(C)C.

What is the InChIKey of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

The InChIKey is GGIWSQKFJVQBDK-OQYRPQLYSA-N. The full InChI is InChI=1S/C16H19NO.C16H23NO.C15H20N2.C15H21NO.C14H18N2.C12H18N2O.C12H16O.C11H15NO.C11H15N.C11H14O2.C10H13F.C10H18N2O.C10H15NO.2C9H13NO2S/c1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13;1-5-18-11-10-17-14-9-7-6-8-13(14)12-15(17)16(2,3)4;1-11(2)15-10-17(16-12(15)3)13(4)14-8-6-5-7-9-14;1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-11(2)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-11-12(6-9)10(3,4)7-13;1-8(2)12-9(3)10-6-4-5-7-11-10;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h4-11H,12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-11,13H,1-4H3;5-8,11H,9-10H2,1-4H3;4-8,10-11H,9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-8H,1-3H3,(H,12,13);4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;5-6,8,13H,7H2,1-4H3;4-9H,1-3H3;2*3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;8-7+;;;;;;/t;;13-;;;;;;;;;;;;/m..0............/s1.

What are the key properties of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine has a molecular weight of 2958.23 g/mol, XLogP of 41.93, 36 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;2-tert-butyl-1-(2-methoxyethyl)indole;5-tert-butyl-2-phenylmethoxypyridine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;2-methyl-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 158247924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).