1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole

C11H18N2O — CID 91636373

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
SMILESCC1(C)CC(n2cccn2)C(C)(C)O1
InChIInChI=1S/C11H18N2O/c1-10(2)8-9(11(3,4)14-10)13-7-5-6-12-13/h5-7,9H,8H2,1-4H3
InChIKeyOJOYIFJAHKTWEL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.40
Rot. Bonds1

About 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole

1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole (PubChem CID 91636373) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
PubChem CID91636373
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
SMILESCC1(C)CC(n2cccn2)C(C)(C)O1
InChIInChI=1S/C11H18N2O/c1-10(2)8-9(11(3,4)14-10)13-7-5-6-12-13/h5-7,9H,8H2,1-4H3
InChIKeyOJOYIFJAHKTWEL-UHFFFAOYSA-N
XLogP2.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole (CID 91636373) is 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole is CC1(C)CC(n2cccn2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
The InChIKey is OJOYIFJAHKTWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)8-9(11(3,4)14-10)13-7-5-6-12-13/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole is sourced from PubChem (CID 91636373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).