1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C16H28N2O2 — CID 105132010

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H28N2O2/c1-10-12(11(2)18(7)17-10)8-14(19)13-9-15(3,4)20-16(13,5)6/h13-14,19H,8-9H2,1-7H3
InChIKeyFRRWQUBEZMCOOW-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.53
Rot. Bonds3

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105132010) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105132010
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H28N2O2/c1-10-12(11(2)18(7)17-10)8-14(19)13-9-15(3,4)20-16(13,5)6/h13-14,19H,8-9H2,1-7H3
InChIKeyFRRWQUBEZMCOOW-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105132010) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1CC(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is FRRWQUBEZMCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10-12(11(2)18(7)17-10)8-14(19)13-9-15(3,4)20-16(13,5)6/h13-14,19H,8-9H2,1-7H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 280.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105132010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).