4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine

C13H16N4O — CID 47084425

IUPAC4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine
SMILESc1cncc(-c2ccnn2CN2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c1-2-12(10-14-4-1)13-3-5-15-17(13)11-16-6-8-18-9-7-16/h1-5,10H,6-9,11H2
InChIKeyQIFDEGOIAPGFKZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.23
Rot. Bonds3

About 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine

4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine (PubChem CID 47084425) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine
PubChem CID47084425
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine
SMILESc1cncc(-c2ccnn2CN2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c1-2-12(10-14-4-1)13-3-5-15-17(13)11-16-6-8-18-9-7-16/h1-5,10H,6-9,11H2
InChIKeyQIFDEGOIAPGFKZ-UHFFFAOYSA-N
XLogP1.23
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine (CID 47084425) is 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine is c1cncc(-c2ccnn2CN2CCOCC2)c1.
What is the InChIKey of 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
The InChIKey is QIFDEGOIAPGFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-12(10-14-4-1)13-3-5-15-17(13)11-16-6-8-18-9-7-16/h1-5,10H,6-9,11H2.
What are the key properties of 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine has a molecular weight of 244.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 47084425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).