3-(1-methylpyrazol-4-yl)morpholine

C8H13N3O — CID 82413718

IUPAC3-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2COCCN2)cn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(4-10-11)8-6-12-3-2-9-8/h4-5,8-9H,2-3,6H2,1H3
InChIKeyZJPXISVPGQJGIN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.08
Rot. Bonds1

About 3-(1-methylpyrazol-4-yl)morpholine

3-(1-methylpyrazol-4-yl)morpholine (PubChem CID 82413718) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)morpholine
PubChem CID82413718
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2COCCN2)cn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(4-10-11)8-6-12-3-2-9-8/h4-5,8-9H,2-3,6H2,1H3
InChIKeyZJPXISVPGQJGIN-UHFFFAOYSA-N
XLogP0.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)morpholine (CID 82413718) is 3-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2COCCN2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is ZJPXISVPGQJGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-5-7(4-10-11)8-6-12-3-2-9-8/h4-5,8-9H,2-3,6H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)morpholine?
3-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 167.21 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 82413718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).