1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol

C11H18N2O2 — CID 62730914

IUPAC1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C11H18N2O2/c1-9(14)11-6-12-13(8-11)7-10-2-4-15-5-3-10/h6,8-10,14H,2-5,7H2,1H3
InChIKeyYBAQIXCPLCGYMB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds3

About 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol

1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol (PubChem CID 62730914) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
PubChem CID62730914
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C11H18N2O2/c1-9(14)11-6-12-13(8-11)7-10-2-4-15-5-3-10/h6,8-10,14H,2-5,7H2,1H3
InChIKeyYBAQIXCPLCGYMB-UHFFFAOYSA-N
XLogP1.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol (CID 62730914) is 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol is CC(O)c1cnn(CC2CCOCC2)c1.
What is the InChIKey of 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol?
The InChIKey is YBAQIXCPLCGYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(14)11-6-12-13(8-11)7-10-2-4-15-5-3-10/h6,8-10,14H,2-5,7H2,1H3.
What are the key properties of 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol?
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol has a molecular weight of 210.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 62730914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).