4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine

C13H22N4O — CID 126946440

IUPAC4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
SMILESc1cnn(C2CCN(CCN3CCOCC3)C2)c1
InChIInChI=1S/C13H22N4O/c1-3-14-17(4-1)13-2-5-16(12-13)7-6-15-8-10-18-11-9-15/h1,3-4,13H,2,5-12H2
InChIKeyOHWYYOQCHOFRTR-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.46
Rot. Bonds4

About 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine

4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine (PubChem CID 126946440) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
PubChem CID126946440
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
SMILESc1cnn(C2CCN(CCN3CCOCC3)C2)c1
InChIInChI=1S/C13H22N4O/c1-3-14-17(4-1)13-2-5-16(12-13)7-6-15-8-10-18-11-9-15/h1,3-4,13H,2,5-12H2
InChIKeyOHWYYOQCHOFRTR-UHFFFAOYSA-N
XLogP0.46
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine (CID 126946440) is 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine is c1cnn(C2CCN(CCN3CCOCC3)C2)c1.
What is the InChIKey of 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine?
The InChIKey is OHWYYOQCHOFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-14-17(4-1)13-2-5-16(12-13)7-6-15-8-10-18-11-9-15/h1,3-4,13H,2,5-12H2.
What are the key properties of 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine?
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine has a molecular weight of 250.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine is sourced from PubChem (CID 126946440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).