2,2-dimethylbutane;ethane;1H-pyrazole

C11H24N2 — CID 91588936

IUPAC2,2-dimethylbutane;ethane;1H-pyrazole
SMILESCC.CCC(C)(C)C.c1cn[nH]c1
InChIInChI=1S/C6H14.C3H4N2.C2H6/c1-5-6(2,3)4;1-2-4-5-3-1;1-2/h5H2,1-4H3;1-3H,(H,4,5);1-2H3
InChIKeyRFIQXMWXJATQSF-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.88
Rot. Bonds

About 2,2-dimethylbutane;ethane;1H-pyrazole

2,2-dimethylbutane;ethane;1H-pyrazole (PubChem CID 91588936) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2,2-dimethylbutane;ethane;1H-pyrazole.

Molecular Properties

Compound Name2,2-dimethylbutane;ethane;1H-pyrazole
PubChem CID91588936
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2,2-dimethylbutane;ethane;1H-pyrazole
SMILESCC.CCC(C)(C)C.c1cn[nH]c1
InChIInChI=1S/C6H14.C3H4N2.C2H6/c1-5-6(2,3)4;1-2-4-5-3-1;1-2/h5H2,1-4H3;1-3H,(H,4,5);1-2H3
InChIKeyRFIQXMWXJATQSF-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;ethane;1H-pyrazole?
The IUPAC name of 2,2-dimethylbutane;ethane;1H-pyrazole (CID 91588936) is 2,2-dimethylbutane;ethane;1H-pyrazole.
What is the SMILES notation for 2,2-dimethylbutane;ethane;1H-pyrazole?
The canonical SMILES for 2,2-dimethylbutane;ethane;1H-pyrazole is CC.CCC(C)(C)C.c1cn[nH]c1.
What is the InChIKey of 2,2-dimethylbutane;ethane;1H-pyrazole?
The InChIKey is RFIQXMWXJATQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H4N2.C2H6/c1-5-6(2,3)4;1-2-4-5-3-1;1-2/h5H2,1-4H3;1-3H,(H,4,5);1-2H3.
What are the key properties of 2,2-dimethylbutane;ethane;1H-pyrazole?
2,2-dimethylbutane;ethane;1H-pyrazole has a molecular weight of 184.33 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;ethane;1H-pyrazole is sourced from PubChem (CID 91588936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).