4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine

C13H23N3O — CID 75506964

IUPAC4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine
SMILESCCn1cc(CN2CC(C)OCC2(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-5-16-9-12(6-14-16)8-15-7-11(2)17-10-13(15,3)4/h6,9,11H,5,7-8,10H2,1-4H3
InChIKeyYAGVGKQIPDXBGU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.90
Rot. Bonds3

About 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine

4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine (PubChem CID 75506964) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine
PubChem CID75506964
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine
SMILESCCn1cc(CN2CC(C)OCC2(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-5-16-9-12(6-14-16)8-15-7-11(2)17-10-13(15,3)4/h6,9,11H,5,7-8,10H2,1-4H3
InChIKeyYAGVGKQIPDXBGU-UHFFFAOYSA-N
XLogP1.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine (CID 75506964) is 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine is CCn1cc(CN2CC(C)OCC2(C)C)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine?
The InChIKey is YAGVGKQIPDXBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-16-9-12(6-14-16)8-15-7-11(2)17-10-13(15,3)4/h6,9,11H,5,7-8,10H2,1-4H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine?
4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine has a molecular weight of 237.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine is sourced from PubChem (CID 75506964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).