1-tert-butyl-4-ethoxypyrazole;ethane

C11H22N2O — CID 162757233

IUPAC1-tert-butyl-4-ethoxypyrazole;ethane
SMILESCC.CCOc1cnn(C(C)(C)C)c1
InChIInChI=1S/C9H16N2O.C2H6/c1-5-12-8-6-10-11(7-8)9(2,3)4;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeySQEGENQLBBNOPU-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.06
Rot. Bonds2

About 1-tert-butyl-4-ethoxypyrazole;ethane

1-tert-butyl-4-ethoxypyrazole;ethane (PubChem CID 162757233) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-tert-butyl-4-ethoxypyrazole;ethane.

Molecular Properties

Compound Name1-tert-butyl-4-ethoxypyrazole;ethane
PubChem CID162757233
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-tert-butyl-4-ethoxypyrazole;ethane
SMILESCC.CCOc1cnn(C(C)(C)C)c1
InChIInChI=1S/C9H16N2O.C2H6/c1-5-12-8-6-10-11(7-8)9(2,3)4;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeySQEGENQLBBNOPU-UHFFFAOYSA-N
XLogP3.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethoxypyrazole;ethane?
The IUPAC name of 1-tert-butyl-4-ethoxypyrazole;ethane (CID 162757233) is 1-tert-butyl-4-ethoxypyrazole;ethane.
What is the SMILES notation for 1-tert-butyl-4-ethoxypyrazole;ethane?
The canonical SMILES for 1-tert-butyl-4-ethoxypyrazole;ethane is CC.CCOc1cnn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-4-ethoxypyrazole;ethane?
The InChIKey is SQEGENQLBBNOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-5-12-8-6-10-11(7-8)9(2,3)4;1-2/h6-7H,5H2,1-4H3;1-2H3.
What are the key properties of 1-tert-butyl-4-ethoxypyrazole;ethane?
1-tert-butyl-4-ethoxypyrazole;ethane has a molecular weight of 198.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethoxypyrazole;ethane is sourced from PubChem (CID 162757233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).