3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine

C64H98N10O — CID 158699558

IUPAC3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cn1.Cn1nc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C18H26N2.C17H25N3O.C17H25N3.C12H22N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4;1-16(2,3)13-10-14(17(4,5)6)20(19-13)12-8-9-15(21-7)18-11-12;1-12-8-9-13(11-18-12)20-15(17(5,6)7)10-14(19-20)16(2,3)4;1-11(2,3)9-8-10(12(4,5)6)14(7)13-9/h8-12H,1-7H3;8-11H,1-7H3;8-11H,1-7H3;8H,1-7H3
InChIKeyIHJDFMVMHVZACC-UHFFFAOYSA-N
MW1023.56 g/mol
LogP15.83
Rot. Bonds4

About 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine

3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine (PubChem CID 158699558) has the molecular formula C64H98N10O and a molecular weight of 1023.56 g/mol. Its IUPAC name is 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine.

Molecular Properties

Compound Name3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine
PubChem CID158699558
Molecular FormulaC64H98N10O
Molecular Weight1023.56 g/mol
Exact Mass1022.79
IUPAC Name3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cn1.Cn1nc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C18H26N2.C17H25N3O.C17H25N3.C12H22N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4;1-16(2,3)13-10-14(17(4,5)6)20(19-13)12-8-9-15(21-7)18-11-12;1-12-8-9-13(11-18-12)20-15(17(5,6)7)10-14(19-20)16(2,3)4;1-11(2,3)9-8-10(12(4,5)6)14(7)13-9/h8-12H,1-7H3;8-11H,1-7H3;8-11H,1-7H3;8H,1-7H3
InChIKeyIHJDFMVMHVZACC-UHFFFAOYSA-N
XLogP15.83
TPSA106.29 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.56
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine?
The IUPAC name of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine (CID 158699558) is 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine.
What is the SMILES notation for 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine?
The canonical SMILES for 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine is COc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2C(C)(C)C)cn1.Cn1nc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine?
The InChIKey is IHJDFMVMHVZACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2.C17H25N3O.C17H25N3.C12H22N2/c1-13-8-10-14(11-9-13)20-16(18(5,6)7)12-15(19-20)17(2,3)4;1-16(2,3)13-10-14(17(4,5)6)20(19-13)12-8-9-15(21-7)18-11-12;1-12-8-9-13(11-18-12)20-15(17(5,6)7)10-14(19-20)16(2,3)4;1-11(2,3)9-8-10(12(4,5)6)14(7)13-9/h8-12H,1-7H3;8-11H,1-7H3;8-11H,1-7H3;8H,1-7H3.
What are the key properties of 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine?
3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine has a molecular weight of 1023.56 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole;5-(3,5-ditert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3,5-ditert-butylpyrazol-1-yl)-2-methylpyridine is sourced from PubChem (CID 158699558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).