1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol

C13H22N2O — CID 63862050

IUPAC1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol
SMILESCCC1CCCCC1n1cc(C(C)O)cn1
InChIInChI=1S/C13H22N2O/c1-3-11-6-4-5-7-13(11)15-9-12(8-14-15)10(2)16/h8-11,13,16H,3-7H2,1-2H3
InChIKeyOBEGUDWGNYAPHK-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol

1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol (PubChem CID 63862050) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol
PubChem CID63862050
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol
SMILESCCC1CCCCC1n1cc(C(C)O)cn1
InChIInChI=1S/C13H22N2O/c1-3-11-6-4-5-7-13(11)15-9-12(8-14-15)10(2)16/h8-11,13,16H,3-7H2,1-2H3
InChIKeyOBEGUDWGNYAPHK-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol (CID 63862050) is 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol is CCC1CCCCC1n1cc(C(C)O)cn1.
What is the InChIKey of 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol?
The InChIKey is OBEGUDWGNYAPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-6-4-5-7-13(11)15-9-12(8-14-15)10(2)16/h8-11,13,16H,3-7H2,1-2H3.
What are the key properties of 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol?
1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylcyclohexyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 63862050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).