2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C9H15N3O — CID 71756151

IUPAC2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CNCCO2)cn1
InChIInChI=1S/C9H15N3O/c1-9(7-10-3-4-13-9)8-5-11-12(2)6-8/h5-6,10H,3-4,7H2,1-2H3
InChIKeyQZKNQIWHWNZUPG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds1

About 2-methyl-2-(1-methylpyrazol-4-yl)morpholine

2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 71756151) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID71756151
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CNCCO2)cn1
InChIInChI=1S/C9H15N3O/c1-9(7-10-3-4-13-9)8-5-11-12(2)6-8/h5-6,10H,3-4,7H2,1-2H3
InChIKeyQZKNQIWHWNZUPG-UHFFFAOYSA-N
XLogP0.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 71756151) is 2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CNCCO2)cn1.
What is the InChIKey of 2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is QZKNQIWHWNZUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(7-10-3-4-13-9)8-5-11-12(2)6-8/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 181.24 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 71756151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).