1-tert-butylpyrazole;ethane;methane

C10H22N2 — CID 159210260

IUPAC1-tert-butylpyrazole;ethane;methane
SMILESC.CC.CC(C)(C)n1cccn1
InChIInChI=1S/C7H12N2.C2H6.CH4/c1-7(2,3)9-6-4-5-8-9;1-2;/h4-6H,1-3H3;1-2H3;1H4
InChIKeyKQKFVJCHLSGSJY-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.30
Rot. Bonds

About 1-tert-butylpyrazole;ethane;methane

1-tert-butylpyrazole;ethane;methane (PubChem CID 159210260) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-tert-butylpyrazole;ethane;methane.

Molecular Properties

Compound Name1-tert-butylpyrazole;ethane;methane
PubChem CID159210260
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-tert-butylpyrazole;ethane;methane
SMILESC.CC.CC(C)(C)n1cccn1
InChIInChI=1S/C7H12N2.C2H6.CH4/c1-7(2,3)9-6-4-5-8-9;1-2;/h4-6H,1-3H3;1-2H3;1H4
InChIKeyKQKFVJCHLSGSJY-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrazole;ethane;methane?
The IUPAC name of 1-tert-butylpyrazole;ethane;methane (CID 159210260) is 1-tert-butylpyrazole;ethane;methane.
What is the SMILES notation for 1-tert-butylpyrazole;ethane;methane?
The canonical SMILES for 1-tert-butylpyrazole;ethane;methane is C.CC.CC(C)(C)n1cccn1.
What is the InChIKey of 1-tert-butylpyrazole;ethane;methane?
The InChIKey is KQKFVJCHLSGSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6.CH4/c1-7(2,3)9-6-4-5-8-9;1-2;/h4-6H,1-3H3;1-2H3;1H4.
What are the key properties of 1-tert-butylpyrazole;ethane;methane?
1-tert-butylpyrazole;ethane;methane has a molecular weight of 170.30 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrazole;ethane;methane is sourced from PubChem (CID 159210260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).