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

C11H16ClN3O — CID 2833936

IUPAC4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride
SMILESCl.Cn1nccc1C#CCN1CCOCC1
InChIInChI=1S/C11H15N3O.ClH/c1-13-11(4-5-12-13)3-2-6-14-7-9-15-10-8-14;/h4-5H,6-10H2,1H3;1H
InChIKeyLWOQYRXLDRUJNK-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.53
Rot. Bonds1

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

4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride (PubChem CID 2833936) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride
PubChem CID2833936
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride
SMILESCl.Cn1nccc1C#CCN1CCOCC1
InChIInChI=1S/C11H15N3O.ClH/c1-13-11(4-5-12-13)3-2-6-14-7-9-15-10-8-14;/h4-5H,6-10H2,1H3;1H
InChIKeyLWOQYRXLDRUJNK-UHFFFAOYSA-N
XLogP0.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.53
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;hydrochloride?
The IUPAC name of 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride (CID 2833936) is 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride is Cl.Cn1nccc1C#CCN1CCOCC1.
What is the InChIKey of 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride?
The InChIKey is LWOQYRXLDRUJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-13-11(4-5-12-13)3-2-6-14-7-9-15-10-8-14;/h4-5H,6-10H2,1H3;1H.
What are the key properties of 4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride?
4-[3-(2-methylpyrazol-3-yl)prop-2-ynyl]morpholine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 0.53, 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;hydrochloride is sourced from PubChem (CID 2833936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).