1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole

C86H153N15 — CID 157052577

About 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole

1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole (PubChem CID 157052577) has the molecular formula C86H153N15 and a molecular weight of 1397.27 g/mol. Its IUPAC name is 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole.

Molecular Properties

• Compound Name: 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
• PubChem CID: 157052577
• Molecular Formula: C86H153N15
• Molecular Weight: 1397.27 g/mol
• Exact Mass: 1396.24
• IUPAC Name: 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
• SMILES: C=CC1=NCC=C1.C=Cc1ccn(C(C)(C)C)n1.C=Cc1ccn[nH]1.C=Cc1ncc[nH]1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC1=NC=CC1.CC1=NCC=C1.Cc1ccn(C(C)(C)C)n1.Cc1ccn[nH]1
• InChI: InChI=1S/2C9H14N2.C8H14N2.C6H7N.2C5H6N2.2C5H7N.6C5H12.C4H6N2/c1-5-8-10-6-7-11(8)9(2,3)4;1-5-8-6-7-11(10-8)9(2,3)4;1-7-5-6-10(9-7)8(2,3)4;1-2-6-4-3-5-7-6;1-2-5-6-3-4-7-5;1-2-5-3-4-6-7-5;2*1-5-3-2-4-6-5;6*1-5(2,3)4;1-4-2-3-5-6-4/h2*5-7H,1H2,2-4H3;5-6H,1-4H3;2-4H,1,5H2;2*2-4H,1H2,(H,6,7);2,4H,3H2,1H3;2-3H,4H2,1H3;6*1-4H3;2-3H,1H3,(H,5,6)
• InChIKey: AAJOAYFRGKJYTH-UHFFFAOYSA-N
• XLogP: 25.21
• TPSA: 176.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.27
LogP ≤ 5	25.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?

The IUPAC name of 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole (CID 157052577) is 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole.

What is the SMILES notation for 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?

The canonical SMILES for 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole is C=CC1=NCC=C1.C=Cc1ccn(C(C)(C)C)n1.C=Cc1ccn[nH]1.C=Cc1ncc[nH]1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC1=NC=CC1.CC1=NCC=C1.Cc1ccn(C(C)(C)C)n1.Cc1ccn[nH]1.

What is the InChIKey of 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?

The InChIKey is AAJOAYFRGKJYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14N2.C8H14N2.C6H7N.2C5H6N2.2C5H7N.6C5H12.C4H6N2/c1-5-8-10-6-7-11(8)9(2,3)4;1-5-8-6-7-11(10-8)9(2,3)4;1-7-5-6-10(9-7)8(2,3)4;1-2-6-4-3-5-7-6;1-2-5-6-3-4-7-5;1-2-5-3-4-6-7-5;2*1-5-3-2-4-6-5;6*1-5(2,3)4;1-4-2-3-5-6-4/h2*5-7H,1H2,2-4H3;5-6H,1-4H3;2-4H,1,5H2;2*2-4H,1H2,(H,6,7);2,4H,3H2,1H3;2-3H,4H2,1H3;6*1-4H3;2-3H,1H3,(H,5,6).

What are the key properties of 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?

1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole has a molecular weight of 1397.27 g/mol, XLogP of 25.21, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole is sourced from PubChem (CID 157052577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).