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

C14H25N3O2 — CID 79087573

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)C2CN(C)CCO2)n1
InChIInChI=1S/C14H25N3O2/c1-4-11(2)17-6-5-12(15-17)9-13(18)14-10-16(3)7-8-19-14/h5-6,11,13-14,18H,4,7-10H2,1-3H3
InChIKeyLUMLKXWJRXJIAD-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.09
Rot. Bonds5

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

2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol (PubChem CID 79087573) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol
PubChem CID79087573
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)C2CN(C)CCO2)n1
InChIInChI=1S/C14H25N3O2/c1-4-11(2)17-6-5-12(15-17)9-13(18)14-10-16(3)7-8-19-14/h5-6,11,13-14,18H,4,7-10H2,1-3H3
InChIKeyLUMLKXWJRXJIAD-UHFFFAOYSA-N
XLogP1.09
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol (CID 79087573) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol is CCC(C)n1ccc(CC(O)C2CN(C)CCO2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol?
The InChIKey is LUMLKXWJRXJIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-11(2)17-6-5-12(15-17)9-13(18)14-10-16(3)7-8-19-14/h5-6,11,13-14,18H,4,7-10H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol has a molecular weight of 267.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanol is sourced from PubChem (CID 79087573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).