1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C14H24N2O3 — CID 65350644

IUPAC1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2COCCO2)n1
InChIInChI=1S/C14H24N2O3/c1-3-12(4-2)16-6-5-11(15-16)9-13(17)14-10-18-7-8-19-14/h5-6,12-14,17H,3-4,7-10H2,1-2H3
InChIKeyGMGSBIMHODJKCG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.56
Rot. Bonds6

About 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 65350644) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID65350644
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2COCCO2)n1
InChIInChI=1S/C14H24N2O3/c1-3-12(4-2)16-6-5-11(15-16)9-13(17)14-10-18-7-8-19-14/h5-6,12-14,17H,3-4,7-10H2,1-2H3
InChIKeyGMGSBIMHODJKCG-UHFFFAOYSA-N
XLogP1.56
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 65350644) is 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)C2COCCO2)n1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is GMGSBIMHODJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-12(4-2)16-6-5-11(15-16)9-13(17)14-10-18-7-8-19-14/h5-6,12-14,17H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 268.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 65350644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).