(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine

C9H13F2N3O — CID 166122705

IUPAC(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@H](c2cnn(C(F)F)c2)O1
InChIInChI=1S/C9H13F2N3O/c1-6-2-12-4-8(15-6)7-3-13-14(5-7)9(10)11/h3,5-6,8-9,12H,2,4H2,1H3/t6-,8-/m1/s1
InChIKeyMSJSZLLAODYFBW-HTRCEHHLSA-N
MW217.22 g/mol
LogP1.33
Rot. Bonds2

About (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine

(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine (PubChem CID 166122705) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine
PubChem CID166122705
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@H](c2cnn(C(F)F)c2)O1
InChIInChI=1S/C9H13F2N3O/c1-6-2-12-4-8(15-6)7-3-13-14(5-7)9(10)11/h3,5-6,8-9,12H,2,4H2,1H3/t6-,8-/m1/s1
InChIKeyMSJSZLLAODYFBW-HTRCEHHLSA-N
XLogP1.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.33
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
1-ethyl-4-[(pyrrolidin-3-yloxy)methyl]-1H-pyrazole
CID 62328791
CID 58450270
CID 58450270
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)pyrazole
CID 68229653
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

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine?
The IUPAC name of (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine (CID 166122705) is (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine?
The canonical SMILES for (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine is C[C@@H]1CNC[C@H](c2cnn(C(F)F)c2)O1.
What is the InChIKey of (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine?
The InChIKey is MSJSZLLAODYFBW-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-6-2-12-4-8(15-6)7-3-13-14(5-7)9(10)11/h3,5-6,8-9,12H,2,4H2,1H3/t6-,8-/m1/s1.
What are the key properties of (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine?
(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine has a molecular weight of 217.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine is sourced from PubChem (CID 166122705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).