4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine

C13H23N3O2 — CID 91843740

IUPAC4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
SMILESCCn1ccc(CN2CCOC(CCOC)C2)n1
InChIInChI=1S/C13H23N3O2/c1-3-16-6-4-12(14-16)10-15-7-9-18-13(11-15)5-8-17-2/h4,6,13H,3,5,7-11H2,1-2H3
InChIKeyKXNOLBOMIJPQDS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.14
Rot. Bonds6

About 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine

4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine (PubChem CID 91843740) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
PubChem CID91843740
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
SMILESCCn1ccc(CN2CCOC(CCOC)C2)n1
InChIInChI=1S/C13H23N3O2/c1-3-16-6-4-12(14-16)10-15-7-9-18-13(11-15)5-8-17-2/h4,6,13H,3,5,7-11H2,1-2H3
InChIKeyKXNOLBOMIJPQDS-UHFFFAOYSA-N
XLogP1.14
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine?
The IUPAC name of 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine (CID 91843740) is 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine.
What is the SMILES notation for 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine?
The canonical SMILES for 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine is CCn1ccc(CN2CCOC(CCOC)C2)n1.
What is the InChIKey of 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine?
The InChIKey is KXNOLBOMIJPQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-16-6-4-12(14-16)10-15-7-9-18-13(11-15)5-8-17-2/h4,6,13H,3,5,7-11H2,1-2H3.
What are the key properties of 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine?
4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine has a molecular weight of 253.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine is sourced from PubChem (CID 91843740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).