2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine

C14H25N3O2 — CID 114468426

IUPAC2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine
SMILESCCC(CC)n1ccc(COCC2CNCCO2)n1
InChIInChI=1S/C14H25N3O2/c1-3-13(4-2)17-7-5-12(16-17)10-18-11-14-9-15-6-8-19-14/h5,7,13-15H,3-4,6,8-11H2,1-2H3
InChIKeyLJLWMORZCBKOAF-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.75
Rot. Bonds7

About 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine

2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine (PubChem CID 114468426) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine.

Molecular Properties

Compound Name2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine
PubChem CID114468426
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine
SMILESCCC(CC)n1ccc(COCC2CNCCO2)n1
InChIInChI=1S/C14H25N3O2/c1-3-13(4-2)17-7-5-12(16-17)10-18-11-14-9-15-6-8-19-14/h5,7,13-15H,3-4,6,8-11H2,1-2H3
InChIKeyLJLWMORZCBKOAF-UHFFFAOYSA-N
XLogP1.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-cyclopentylpyrazol-3-yl)methoxymethyl]morpholine
CID 114468422
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-[(2-methyltetrazol-5-yl)methoxymethyl]morpholine
CID 107044482
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxymethyl]morpholine
CID 114468442
(1S)-2-[[(2R)-morpholin-2-yl]methoxy]-1-phenylethanol
CID 57190648
2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
CID 150930159
2-(2-propoxyethoxymethyl)morpholine
CID 64534869
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107906460
2-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine
CID 114469027
(2S)-2-(methoxymethyl)morpholine
CID 10103206
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine?
The IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine (CID 114468426) is 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine.
What is the SMILES notation for 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine?
The canonical SMILES for 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine is CCC(CC)n1ccc(COCC2CNCCO2)n1.
What is the InChIKey of 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine?
The InChIKey is LJLWMORZCBKOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-13(4-2)17-7-5-12(16-17)10-18-11-14-9-15-6-8-19-14/h5,7,13-15H,3-4,6,8-11H2,1-2H3.
What are the key properties of 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine?
2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine has a molecular weight of 267.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine is sourced from PubChem (CID 114468426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).