2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine

C13H20FN3O — CID 166122266

IUPAC2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine
SMILESCCC(F)C1CNCC(c2cnn(C3CC3)c2)O1
InChIInChI=1S/C13H20FN3O/c1-2-11(14)13-7-15-6-12(18-13)9-5-16-17(8-9)10-3-4-10/h5,8,10-13,15H,2-4,6-7H2,1H3
InChIKeyJKLSAJMNFKQQOO-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.00
Rot. Bonds4

About 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine

2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine (PubChem CID 166122266) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine.

Molecular Properties

Compound Name2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine
PubChem CID166122266
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine
SMILESCCC(F)C1CNCC(c2cnn(C3CC3)c2)O1
InChIInChI=1S/C13H20FN3O/c1-2-11(14)13-7-15-6-12(18-13)9-5-16-17(8-9)10-3-4-10/h5,8,10-13,15H,2-4,6-7H2,1H3
InChIKeyJKLSAJMNFKQQOO-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71695337
2-methyl-2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71756151
5-[1-(Difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine
CID 166121207
(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
CID 166121372
2-Cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
CID 166121405
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
CID 166121424
(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
CID 166121657
2-(1-Cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
CID 166122046
[2-[1-(Difluoromethyl)pyrazol-4-yl]-6-methylmorpholin-4-yl] thiohypoiodite
CID 166122153
[(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholin-4-yl] thiohypoiodite
CID 166122618
(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine
CID 166122705
2,2-Difluoro-6-(1-methylpyrazol-4-yl)morpholine
CID 170711803

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine?
The IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine (CID 166122266) is 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine.
What is the SMILES notation for 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine?
The canonical SMILES for 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine is CCC(F)C1CNCC(c2cnn(C3CC3)c2)O1.
What is the InChIKey of 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine?
The InChIKey is JKLSAJMNFKQQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-11(14)13-7-15-6-12(18-13)9-5-16-17(8-9)10-3-4-10/h5,8,10-13,15H,2-4,6-7H2,1H3.
What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine?
2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine has a molecular weight of 253.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine is sourced from PubChem (CID 166122266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).