4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)

C83H161N19O2 — CID 160617699

About 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)

4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane) (PubChem CID 160617699) has the molecular formula C83H161N19O2 and a molecular weight of 1457.33 g/mol. Its IUPAC name is 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane).

Molecular Properties

• Compound Name: 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)
• PubChem CID: 160617699
• Molecular Formula: C83H161N19O2
• Molecular Weight: 1457.33 g/mol
• Exact Mass: 1456.31
• IUPAC Name: 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)
• SMILES: CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)C.CC(C)C.CC(C)C.CC(C)C
• InChI: InChI=1S/2C11H20N2.2C10H18N2O.2C7H12N2.C6H11N3.C5H10N4.4C4H10/c1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)5-4-7-9-8-5;1-5(2,3)4-6-8-9-7-4;4*1-4(2)3/h2*7-8H,1-6H3;2*1-6H3;2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);1-3H3,(H,6,7,8,9);4*4H,1-3H3
• InChIKey: RGHMXHOSTNAYSH-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 266.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.33
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)?

The IUPAC name of 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane) (CID 160617699) is 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane).

What is the SMILES notation for 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)?

The canonical SMILES for 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane) is CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.

What is the InChIKey of 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)?

The InChIKey is RGHMXHOSTNAYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20N2.2C10H18N2O.2C7H12N2.C6H11N3.C5H10N4.4C4H10/c1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)5-4-7-9-8-5;1-5(2,3)4-6-8-9-7-4;4*1-4(2)3/h2*7-8H,1-6H3;2*1-6H3;2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);1-3H3,(H,6,7,8,9);4*4H,1-3H3.

What are the key properties of 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane)?

4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane) has a molecular weight of 1457.33 g/mol, XLogP of 22.86, 0 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-2H-tetrazole;4-tert-butyl-2H-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;tetrakis(2-methylpropane) is sourced from PubChem (CID 160617699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).