4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine

C11H15N3O — CID 2833937

IUPAC4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine
SMILESCn1nccc1C#CCN1CCOCC1
InChIInChI=1S/C11H15N3O/c1-13-11(4-5-12-13)3-2-6-14-7-9-15-10-8-14/h4-5H,6-10H2,1H3
InChIKeyRHHXXYNUKUVGIL-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.10
Rot. Bonds1

About 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine

4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine (PubChem CID 2833937) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine
PubChem CID2833937
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine
SMILESCn1nccc1C#CCN1CCOCC1
InChIInChI=1S/C11H15N3O/c1-13-11(4-5-12-13)3-2-6-14-7-9-15-10-8-14/h4-5H,6-10H2,1H3
InChIKeyRHHXXYNUKUVGIL-UHFFFAOYSA-N
XLogP0.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine?
The IUPAC name of 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine (CID 2833937) is 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine.
What is the SMILES notation for 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine?
The canonical SMILES for 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine is Cn1nccc1C#CCN1CCOCC1.
What is the InChIKey of 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine?
The InChIKey is RHHXXYNUKUVGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-11(4-5-12-13)3-2-6-14-7-9-15-10-8-14/h4-5H,6-10H2,1H3.
What are the key properties of 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine?
4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine has a molecular weight of 205.26 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine is sourced from PubChem (CID 2833937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).