1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C15H18F3N5O2 — CID 124968212

IUPAC1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1
InChIInChI=1S/C15H18F3N5O2/c1-10-7-21(2)14(19-10)11-8-22(5-6-25-11)13(24)9-23-4-3-12(20-23)15(16,17)18/h3-4,7,11H,5-6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyIZIAJXWLNYFPEI-NSHDSACASA-N
MW357.34 g/mol
LogP1.54
Rot. Bonds3

About 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 124968212) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID124968212
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1
InChIInChI=1S/C15H18F3N5O2/c1-10-7-21(2)14(19-10)11-8-22(5-6-25-11)13(24)9-23-4-3-12(20-23)15(16,17)18/h3-4,7,11H,5-6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyIZIAJXWLNYFPEI-NSHDSACASA-N
XLogP1.54
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 124968212) is 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cn(C)c([C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1.
What is the InChIKey of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is IZIAJXWLNYFPEI-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-10-7-21(2)14(19-10)11-8-22(5-6-25-11)13(24)9-23-4-3-12(20-23)15(16,17)18/h3-4,7,11H,5-6,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 357.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 124968212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).