1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine

C150H205FN14O8S — CID 159721964

About 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine

1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine (PubChem CID 159721964) has the molecular formula C150H205FN14O8S and a molecular weight of 2383.44 g/mol. Its IUPAC name is 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine.

Molecular Properties

• Compound Name: 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine
• PubChem CID: 159721964
• Molecular Formula: C150H205FN14O8S
• Molecular Weight: 2383.44 g/mol
• Exact Mass: 2381.58
• IUPAC Name: 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;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)c1ccc(OCc2ccccc2)nc1.CC(C)/C=C/c1cnn(C)c1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CCOCCn1c(C(C)(C)C)cc2ccccc21.CNC(=O)c1cccc(C(C)C)c1.COCc1cccc(C(C)C)c1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1.Cc1ccc(C(C)C)cc1F
• InChI: InChI=1S/C16H22N2.C16H19NO.C16H23NO.2C14H18N2.C12H18N2O.C12H16O.C11H15NO.C11H16O.C10H13F.C9H14N2.C9H13NO2S/c1-12(14-9-7-6-8-10-14)18-13(2)15(11-17-18)16(3,4)5;1-16(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)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;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;1-9(2)11-6-4-5-10(7-11)8-12-3;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h6-12H,1-5H3;4-11H,12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-8H,1-3H3,(H,12,13);4-7,9H,8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;;;5-4+
• InChIKey: NADNWLFHSTTWCK-KGSFLHNVSA-N
• XLogP: 35.44
• TPSA: 248.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.44
LogP ≤ 5	35.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

The IUPAC name of 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine (CID 159721964) is 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine.

What is the SMILES notation for 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

The canonical SMILES for 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;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)c1ccc(OCc2ccccc2)nc1.CC(C)/C=C/c1cnn(C)c1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CCOCCn1c(C(C)(C)C)cc2ccccc21.CNC(=O)c1cccc(C(C)C)c1.COCc1cccc(C(C)C)c1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1.Cc1ccc(C(C)C)cc1F.

What is the InChIKey of 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

The InChIKey is NADNWLFHSTTWCK-KGSFLHNVSA-N. The full InChI is InChI=1S/C16H22N2.C16H19NO.C16H23NO.2C14H18N2.C12H18N2O.C12H16O.C11H15NO.C11H16O.C10H13F.C9H14N2.C9H13NO2S/c1-12(14-9-7-6-8-10-14)18-13(2)15(11-17-18)16(3,4)5;1-16(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)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;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;1-9(2)11-6-4-5-10(7-11)8-12-3;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h6-12H,1-5H3;4-11H,12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-8H,1-3H3,(H,12,13);4-7,9H,8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;;;5-4+;.

What are the key properties of 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine?

1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine has a molecular weight of 2383.44 g/mol, XLogP of 35.44, 30 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 159721964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).