4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine

C11H18FN3O — CID 144666483

IUPAC4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
SMILESCc1ccn(CC(F)CN2CCOCC2)n1
InChIInChI=1S/C11H18FN3O/c1-10-2-3-15(13-10)9-11(12)8-14-4-6-16-7-5-14/h2-3,11H,4-9H2,1H3
InChIKeyHFHQWMLDJHQOTC-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.86
Rot. Bonds4

About 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine

4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine (PubChem CID 144666483) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
PubChem CID144666483
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
SMILESCc1ccn(CC(F)CN2CCOCC2)n1
InChIInChI=1S/C11H18FN3O/c1-10-2-3-15(13-10)9-11(12)8-14-4-6-16-7-5-14/h2-3,11H,4-9H2,1H3
InChIKeyHFHQWMLDJHQOTC-UHFFFAOYSA-N
XLogP0.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine (CID 144666483) is 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine is Cc1ccn(CC(F)CN2CCOCC2)n1.
What is the InChIKey of 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
The InChIKey is HFHQWMLDJHQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-10-2-3-15(13-10)9-11(12)8-14-4-6-16-7-5-14/h2-3,11H,4-9H2,1H3.
What are the key properties of 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine has a molecular weight of 227.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine is sourced from PubChem (CID 144666483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).