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

C15H26N2O — CID 114624076

IUPAC3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
SMILESCCc1cc(CC)n(C2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H26N2O/c1-7-11-9-12(8-2)17(16-11)13-10-14(3,4)18-15(13,5)6/h9,13H,7-8,10H2,1-6H3
InChIKeyJBFABVNDQLLMEY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.53
Rot. Bonds3

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

3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole (PubChem CID 114624076) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
PubChem CID114624076
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
SMILESCCc1cc(CC)n(C2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H26N2O/c1-7-11-9-12(8-2)17(16-11)13-10-14(3,4)18-15(13,5)6/h9,13H,7-8,10H2,1-6H3
InChIKeyJBFABVNDQLLMEY-UHFFFAOYSA-N
XLogP3.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
The IUPAC name of 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole (CID 114624076) is 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole.
What is the SMILES notation for 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
The canonical SMILES for 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole is CCc1cc(CC)n(C2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
The InChIKey is JBFABVNDQLLMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-7-11-9-12(8-2)17(16-11)13-10-14(3,4)18-15(13,5)6/h9,13H,7-8,10H2,1-6H3.
What are the key properties of 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole?
3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole has a molecular weight of 250.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole is sourced from PubChem (CID 114624076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).