2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone

C14H20F3N3O2 — CID 95551762

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c1C
InChIInChI=1S/C14H20F3N3O2/c1-4-11-9(2)18-20(10(11)3)8-13(21)19-5-6-22-12(7-19)14(15,16)17/h12H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyVVAQESLCGHLLEI-GFCCVEGCSA-N
MW319.33 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 95551762) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID95551762
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c1C
InChIInChI=1S/C14H20F3N3O2/c1-4-11-9(2)18-20(10(11)3)8-13(21)19-5-6-22-12(7-19)14(15,16)17/h12H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyVVAQESLCGHLLEI-GFCCVEGCSA-N
XLogP1.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 95551762) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone is CCc1c(C)nn(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is VVAQESLCGHLLEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-4-11-9(2)18-20(10(11)3)8-13(21)19-5-6-22-12(7-19)14(15,16)17/h12H,4-8H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 319.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 95551762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).