3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

C16H28N2O2 — CID 79926993

IUPAC3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCc1cc(CC2(O)CC(C)(C)OC2(C)C)n(CC)n1
InChIInChI=1S/C16H28N2O2/c1-7-12-9-13(18(8-2)17-12)10-16(19)11-14(3,4)20-15(16,5)6/h9,19H,7-8,10-11H2,1-6H3
InChIKeyWIOULERDDQKCBQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.72
Rot. Bonds4

About 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79926993) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79926993
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCc1cc(CC2(O)CC(C)(C)OC2(C)C)n(CC)n1
InChIInChI=1S/C16H28N2O2/c1-7-12-9-13(18(8-2)17-12)10-16(19)11-14(3,4)20-15(16,5)6/h9,19H,7-8,10-11H2,1-6H3
InChIKeyWIOULERDDQKCBQ-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79926993) is 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is CCc1cc(CC2(O)CC(C)(C)OC2(C)C)n(CC)n1.
What is the InChIKey of 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is WIOULERDDQKCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-12-9-13(18(8-2)17-12)10-16(19)11-14(3,4)20-15(16,5)6/h9,19H,7-8,10-11H2,1-6H3.
What are the key properties of 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 280.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79926993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).