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

C11H18FN3O — CID 103132909

IUPAC3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine
SMILESCn1ccc(C(C)(F)CC2COCCN2)n1
InChIInChI=1S/C11H18FN3O/c1-11(12,10-3-5-15(2)14-10)7-9-8-16-6-4-13-9/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyJNFNEIVOJSLGQC-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.98
Rot. Bonds3

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

3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine (PubChem CID 103132909) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine
PubChem CID103132909
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine
SMILESCn1ccc(C(C)(F)CC2COCCN2)n1
InChIInChI=1S/C11H18FN3O/c1-11(12,10-3-5-15(2)14-10)7-9-8-16-6-4-13-9/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyJNFNEIVOJSLGQC-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-pyrazol-5-yl)morpholine
CID 82597432
2-(5-(piperidin-4-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 50990677
(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine
CID 148711828
ethane;(E)-3-methylimino-2-(1-propan-2-ylpyrazol-3-yl)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine;8-methylnon-1-ene;morpholine
CID 171500010
4-[4-Fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine
CID 171506584
4-Fluoro-4-(1-methylpyrazol-3-yl)piperidine
CID 83817237
3-Fluoro-3-(1-methylpyrazol-3-yl)piperidine
CID 83817239
4-[Fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
CID 103132849
2-[2-Fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine
CID 103132906
1-(1-Methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147978
1-(1-Pentan-3-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148033
1-(1-Cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148124

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine?
The IUPAC name of 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine (CID 103132909) is 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine?
The canonical SMILES for 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine is Cn1ccc(C(C)(F)CC2COCCN2)n1.
What is the InChIKey of 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine?
The InChIKey is JNFNEIVOJSLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-11(12,10-3-5-15(2)14-10)7-9-8-16-6-4-13-9/h3,5,9,13H,4,6-8H2,1-2H3.
What are the key properties of 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine?
3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine has a molecular weight of 227.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]morpholine is sourced from PubChem (CID 103132909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).