1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane

C15H34N2 — CID 161305054

IUPAC1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane
SMILESC.CC.CC(C)(C)C.CC(C)(C)n1cccn1
InChIInChI=1S/C7H12N2.C5H12.C2H6.CH4/c1-7(2,3)9-6-4-5-8-9;1-5(2,3)4;1-2;/h4-6H,1-3H3;1-4H3;1-2H3;1H4
InChIKeyVIDDZEOBPOPTRA-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.35
Rot. Bonds

About 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane

1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane (PubChem CID 161305054) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane.

Molecular Properties

Compound Name1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane
PubChem CID161305054
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane
SMILESC.CC.CC(C)(C)C.CC(C)(C)n1cccn1
InChIInChI=1S/C7H12N2.C5H12.C2H6.CH4/c1-7(2,3)9-6-4-5-8-9;1-5(2,3)4;1-2;/h4-6H,1-3H3;1-4H3;1-2H3;1H4
InChIKeyVIDDZEOBPOPTRA-UHFFFAOYSA-N
XLogP5.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylpyrazole;ethane;methane
CID 159210260
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1-(2-methyl-1-pyrrol-1-ylpropan-2-yl)pyrazole
CID 164661981
2,2-dimethylpropane;1-methylpyrazole
CID 159902213
1-(1,1-diphenylethyl)pyrazole
CID 58756168
1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;methane
CID 158606239
bis(2,2-dimethylpropane);ethane;methane;1-methylpyrazole;1,2-oxazole
CID 161360048
1-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 87584131
CID 166123273
CID 166123273
1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 24999461
formaldehyde;1-(trifluoromethyl)pyrazole
CID 159602830

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane?
The IUPAC name of 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane (CID 161305054) is 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane.
What is the SMILES notation for 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane?
The canonical SMILES for 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane is C.CC.CC(C)(C)C.CC(C)(C)n1cccn1.
What is the InChIKey of 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane?
The InChIKey is VIDDZEOBPOPTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C5H12.C2H6.CH4/c1-7(2,3)9-6-4-5-8-9;1-5(2,3)4;1-2;/h4-6H,1-3H3;1-4H3;1-2H3;1H4.
What are the key properties of 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane?
1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane has a molecular weight of 242.45 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrazole;2,2-dimethylpropane;ethane;methane is sourced from PubChem (CID 161305054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).