4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine

C11H19N3O — CID 1215255

IUPAC4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine
SMILESCc1n[nH]c(C)c1CCN1CCOCC1
InChIInChI=1S/C11H19N3O/c1-9-11(10(2)13-12-9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)
InChIKeyVIKAMQNWLXTIFK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.90
Rot. Bonds3

About 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine

4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine (PubChem CID 1215255) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine
PubChem CID1215255
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine
SMILESCc1n[nH]c(C)c1CCN1CCOCC1
InChIInChI=1S/C11H19N3O/c1-9-11(10(2)13-12-9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)
InChIKeyVIKAMQNWLXTIFK-UHFFFAOYSA-N
XLogP0.90
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine (CID 1215255) is 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine is Cc1n[nH]c(C)c1CCN1CCOCC1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine?
The InChIKey is VIKAMQNWLXTIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-11(10(2)13-12-9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine?
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine has a molecular weight of 209.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 1215255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).