2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

C15H20F3N3O2 — CID 35293993

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)C[C@H](C)O1
InChIInChI=1S/C15H20F3N3O2/c1-9-6-20(7-10(2)23-9)14(22)8-21-12(11-3-4-11)5-13(19-21)15(16,17)18/h5,9-11H,3-4,6-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyRMHLKRMMFXZTLH-UWVGGRQHSA-N
MW331.34 g/mol
LogP2.42
Rot. Bonds3

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 35293993) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID35293993
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)C[C@H](C)O1
InChIInChI=1S/C15H20F3N3O2/c1-9-6-20(7-10(2)23-9)14(22)8-21-12(11-3-4-11)5-13(19-21)15(16,17)18/h5,9-11H,3-4,6-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyRMHLKRMMFXZTLH-UWVGGRQHSA-N
XLogP2.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (CID 35293993) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)C[C@H](C)O1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is RMHLKRMMFXZTLH-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-6-20(7-10(2)23-9)14(22)8-21-12(11-3-4-11)5-13(19-21)15(16,17)18/h5,9-11H,3-4,6-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 331.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 35293993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).