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

C11H16FN3O — CID 166121372

IUPAC(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
SMILESC[C@@H]1CNC[C@H](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/t7-,10-/m1/s1
InChIKeyRXQWFMJNGWWBTJ-GMSGAONNSA-N
MW225.27 g/mol
LogP1.41
Rot. Bonds2

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

(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine (PubChem CID 166121372) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
PubChem CID166121372
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
SMILESC[C@@H]1CNC[C@H](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/t7-,10-/m1/s1
InChIKeyRXQWFMJNGWWBTJ-GMSGAONNSA-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

CID 71695337
CID 71695337
CID 71756151
CID 71756151
CID 166121207
CID 166121207
CID 166121405
CID 166121405
CID 166121424
CID 166121424
CID 166121657
CID 166121657
CID 166122046
CID 166122046
CID 166122153
CID 166122153
CID 166122266
CID 166122266
CID 166122618
CID 166122618
CID 166122705
CID 166122705
CID 170711803
CID 170711803

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
The IUPAC name of (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine (CID 166121372) is (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
The canonical SMILES for (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine is C[C@@H]1CNC[C@H](c2cnn(C3CC3)c2F)O1.
What is the InChIKey of (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
The InChIKey is RXQWFMJNGWWBTJ-GMSGAONNSA-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/t7-,10-/m1/s1.
What are the key properties of (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine?
(2S,6R)-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 (2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine is sourced from PubChem (CID 166121372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).