1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C15H27N3O2 — CID 79087088

IUPAC1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2CN(C)CCO2)n1
InChIInChI=1S/C15H27N3O2/c1-4-13(5-2)18-7-6-12(16-18)10-14(19)15-11-17(3)8-9-20-15/h6-7,13-15,19H,4-5,8-11H2,1-3H3
InChIKeyJZCALPQYOUDTQV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.48
Rot. Bonds6

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

1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 79087088) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID79087088
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2CN(C)CCO2)n1
InChIInChI=1S/C15H27N3O2/c1-4-13(5-2)18-7-6-12(16-18)10-14(19)15-11-17(3)8-9-20-15/h6-7,13-15,19H,4-5,8-11H2,1-3H3
InChIKeyJZCALPQYOUDTQV-UHFFFAOYSA-N
XLogP1.48
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 79087088) is 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)C2CN(C)CCO2)n1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is JZCALPQYOUDTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-13(5-2)18-7-6-12(16-18)10-14(19)15-11-17(3)8-9-20-15/h6-7,13-15,19H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 281.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 79087088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).