5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole

C13H22N2O — CID 169032817

IUPAC5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole
SMILESCC(C)(C)c1ccnn1C1CCOC1(C)C
InChIInChI=1S/C13H22N2O/c1-12(2,3)10-6-8-14-15(10)11-7-9-16-13(11,4)5/h6,8,11H,7,9H2,1-5H3
InChIKeyWPXRJOZFVUCUHZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.92
Rot. Bonds1

About 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole

5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole (PubChem CID 169032817) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole.

Molecular Properties

Compound Name5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole
PubChem CID169032817
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole
SMILESCC(C)(C)c1ccnn1C1CCOC1(C)C
InChIInChI=1S/C13H22N2O/c1-12(2,3)10-6-8-14-15(10)11-7-9-16-13(11,4)5/h6,8,11H,7,9H2,1-5H3
InChIKeyWPXRJOZFVUCUHZ-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole?
The IUPAC name of 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole (CID 169032817) is 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole.
What is the SMILES notation for 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole?
The canonical SMILES for 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole is CC(C)(C)c1ccnn1C1CCOC1(C)C.
What is the InChIKey of 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole?
The InChIKey is WPXRJOZFVUCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2,3)10-6-8-14-15(10)11-7-9-16-13(11,4)5/h6,8,11H,7,9H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole?
5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole has a molecular weight of 222.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole is sourced from PubChem (CID 169032817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).