4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine

C16H27N3O2 — CID 54673625

IUPAC4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine
SMILESCc1cc(COCCN2CCOCC2)nn1C1CCCC1
InChIInChI=1S/C16H27N3O2/c1-14-12-15(17-19(14)16-4-2-3-5-16)13-21-11-8-18-6-9-20-10-7-18/h12,16H,2-11,13H2,1H3
InChIKeyOUXCNXVJNJLXJS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.16
Rot. Bonds6

About 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine

4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine (PubChem CID 54673625) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine
PubChem CID54673625
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine
SMILESCc1cc(COCCN2CCOCC2)nn1C1CCCC1
InChIInChI=1S/C16H27N3O2/c1-14-12-15(17-19(14)16-4-2-3-5-16)13-21-11-8-18-6-9-20-10-7-18/h12,16H,2-11,13H2,1H3
InChIKeyOUXCNXVJNJLXJS-UHFFFAOYSA-N
XLogP2.16
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine (CID 54673625) is 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine is Cc1cc(COCCN2CCOCC2)nn1C1CCCC1.
What is the InChIKey of 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine?
The InChIKey is OUXCNXVJNJLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14-12-15(17-19(14)16-4-2-3-5-16)13-21-11-8-18-6-9-20-10-7-18/h12,16H,2-11,13H2,1H3.
What are the key properties of 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine?
4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine is sourced from PubChem (CID 54673625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).