3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine

C65H92N10O — CID 161360575

About 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine

3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine (PubChem CID 161360575) has the molecular formula C65H92N10O and a molecular weight of 1029.52 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine.

Molecular Properties

• Compound Name: 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine
• PubChem CID: 161360575
• Molecular Formula: C65H92N10O
• Molecular Weight: 1029.52 g/mol
• Exact Mass: 1028.75
• IUPAC Name: 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine
• SMILES: CC(C)c1cc(C(C)(C)C)nn1-c1ccccc1.COc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)cn1
• InChI: InChI=1S/C17H24N2.C16H23N3O.C16H23N3.C16H22N2/c1-12(2)15-11-16(17(4,5)6)18-19(15)14-9-7-13(3)8-10-14;1-11(2)13-9-14(16(3,4)5)18-19(13)12-7-8-15(20-6)17-10-12;1-11(2)14-9-15(16(4,5)6)18-19(14)13-8-7-12(3)17-10-13;1-12(2)14-11-15(16(3,4)5)17-18(14)13-9-7-6-8-10-13/h7-12H,1-6H3;7-11H,1-6H3;7-11H,1-6H3;6-12H,1-5H3
• InChIKey: VPCPWBOIUSGGCJ-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 106.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.52
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine?

The IUPAC name of 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine (CID 161360575) is 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine.

What is the SMILES notation for 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine?

The canonical SMILES for 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine is CC(C)c1cc(C(C)(C)C)nn1-c1ccccc1.COc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)cn1.

What is the InChIKey of 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine?

The InChIKey is VPCPWBOIUSGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.C16H23N3O.C16H23N3.C16H22N2/c1-12(2)15-11-16(17(4,5)6)18-19(15)14-9-7-13(3)8-10-14;1-11(2)13-9-14(16(3,4)5)18-19(13)12-7-8-15(20-6)17-10-12;1-11(2)14-9-15(16(4,5)6)18-19(14)13-8-7-12(3)17-10-13;1-12(2)14-11-15(16(3,4)5)17-18(14)13-9-7-6-8-10-13/h7-12H,1-6H3;7-11H,1-6H3;7-11H,1-6H3;6-12H,1-5H3.

What are the key properties of 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine?

3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine has a molecular weight of 1029.52 g/mol, XLogP of 16.59, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;3-tert-butyl-1-phenyl-5-propan-2-ylpyrazole;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)-2-methylpyridine is sourced from PubChem (CID 161360575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).