4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine

C15H19N3O2 — CID 3070779

IUPAC4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
SMILESc1ccc(-c2cc(OCCN3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-4-13(5-3-1)14-12-15(17-16-14)20-11-8-18-6-9-19-10-7-18/h1-5,12H,6-11H2,(H,16,17)
InChIKeyADXFHPJOLYKRJV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.79
Rot. Bonds5

About 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine

4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine (PubChem CID 3070779) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
PubChem CID3070779
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
SMILESc1ccc(-c2cc(OCCN3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-4-13(5-3-1)14-12-15(17-16-14)20-11-8-18-6-9-19-10-7-18/h1-5,12H,6-11H2,(H,16,17)
InChIKeyADXFHPJOLYKRJV-UHFFFAOYSA-N
XLogP1.79
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine (CID 3070779) is 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine is c1ccc(-c2cc(OCCN3CCOCC3)n[nH]2)cc1.
What is the InChIKey of 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
The InChIKey is ADXFHPJOLYKRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-4-13(5-3-1)14-12-15(17-16-14)20-11-8-18-6-9-19-10-7-18/h1-5,12H,6-11H2,(H,16,17).
What are the key properties of 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine?
4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine is sourced from PubChem (CID 3070779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).