2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine

C11H16FN3O — CID 175546376

IUPAC2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
SMILESCC1CNCC(c2cnn(C3CC3)c2F)O1
InChIInChI=1S/C11H16FN3O/c1-7-4-13-6-10(16-7)9-5-14-15(11(9)12)8-2-3-8/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyRXQWFMJNGWWBTJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.41
Rot. Bonds2

About 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine

2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine (PubChem CID 175546376) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
PubChem CID175546376
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
SMILESCC1CNCC(c2cnn(C3CC3)c2F)O1
InChIInChI=1S/C11H16FN3O/c1-7-4-13-6-10(16-7)9-5-14-15(11(9)12)8-2-3-8/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyRXQWFMJNGWWBTJ-UHFFFAOYSA-N
XLogP1.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.41
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
2-(1-Cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine
CID 166122266
[(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

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
The IUPAC name of 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine (CID 175546376) is 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine.
What is the SMILES notation for 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
The canonical SMILES for 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine is CC1CNCC(c2cnn(C3CC3)c2F)O1.
What is the InChIKey of 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
The InChIKey is RXQWFMJNGWWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-4-13-6-10(16-7)9-5-14-15(11(9)12)8-2-3-8/h5,7-8,10,13H,2-4,6H2,1H3.
What are the key properties of 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine has a molecular weight of 225.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine is sourced from PubChem (CID 175546376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).