3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine

C11H16F3N3O — CID 75451482

IUPAC3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
SMILESCc1nn(CC(F)(F)F)c(C)c1C1COCCN1
InChIInChI=1S/C11H16F3N3O/c1-7-10(9-5-18-4-3-15-9)8(2)17(16-7)6-11(12,13)14/h9,15H,3-6H2,1-2H3
InChIKeyQUNAQXAQVKWYRS-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.72
Rot. Bonds2

About 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine

3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine (PubChem CID 75451482) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
PubChem CID75451482
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
SMILESCc1nn(CC(F)(F)F)c(C)c1C1COCCN1
InChIInChI=1S/C11H16F3N3O/c1-7-10(9-5-18-4-3-15-9)8(2)17(16-7)6-11(12,13)14/h9,15H,3-6H2,1-2H3
InChIKeyQUNAQXAQVKWYRS-UHFFFAOYSA-N
XLogP1.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The IUPAC name of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine (CID 75451482) is 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The canonical SMILES for 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine is Cc1nn(CC(F)(F)F)c(C)c1C1COCCN1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The InChIKey is QUNAQXAQVKWYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7-10(9-5-18-4-3-15-9)8(2)17(16-7)6-11(12,13)14/h9,15H,3-6H2,1-2H3.
What are the key properties of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine has a molecular weight of 263.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine is sourced from PubChem (CID 75451482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).