1-ethylpyrazole;morpholine

C9H17N3O — CID 174934852

IUPAC1-ethylpyrazole;morpholine
SMILESC1COCCN1.CCn1cccn1
InChIInChI=1S/C5H8N2.C4H9NO/c1-2-7-5-3-4-6-7;1-3-6-4-2-5-1/h3-5H,2H2,1H3;5H,1-4H2
InChIKeyDYERPXBCEJISJJ-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.51
Rot. Bonds1

About 1-ethylpyrazole;morpholine

1-ethylpyrazole;morpholine (PubChem CID 174934852) has the molecular formula C9H17N3O and a molecular weight of 183.26 g/mol. Its IUPAC name is 1-ethylpyrazole;morpholine.

Molecular Properties

Compound Name1-ethylpyrazole;morpholine
PubChem CID174934852
Molecular FormulaC9H17N3O
Molecular Weight183.26 g/mol
Exact Mass183.14
IUPAC Name1-ethylpyrazole;morpholine
SMILESC1COCCN1.CCn1cccn1
InChIInChI=1S/C5H8N2.C4H9NO/c1-2-7-5-3-4-6-7;1-3-6-4-2-5-1/h3-5H,2H2,1H3;5H,1-4H2
InChIKeyDYERPXBCEJISJJ-UHFFFAOYSA-N
XLogP0.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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morpholine;ruthenium(3+)
CID 162097690
sodium morpholine
CID 21469219
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CID 22665942
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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole;morpholine?
The IUPAC name of 1-ethylpyrazole;morpholine (CID 174934852) is 1-ethylpyrazole;morpholine.
What is the SMILES notation for 1-ethylpyrazole;morpholine?
The canonical SMILES for 1-ethylpyrazole;morpholine is C1COCCN1.CCn1cccn1.
What is the InChIKey of 1-ethylpyrazole;morpholine?
The InChIKey is DYERPXBCEJISJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H9NO/c1-2-7-5-3-4-6-7;1-3-6-4-2-5-1/h3-5H,2H2,1H3;5H,1-4H2.
What are the key properties of 1-ethylpyrazole;morpholine?
1-ethylpyrazole;morpholine has a molecular weight of 183.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole;morpholine is sourced from PubChem (CID 174934852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).