2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone

C17H18F3N3O2 — CID 45216593

IUPAC2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)14-4-1-3-13(9-14)10-15-11-22(7-8-25-15)16(24)12-23-6-2-5-21-23/h1-6,9,15H,7-8,10-12H2
InChIKeyZVVOYRHIJOKMSP-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.37
Rot. Bonds4

About 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone

2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone (PubChem CID 45216593) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
PubChem CID45216593
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)14-4-1-3-13(9-14)10-15-11-22(7-8-25-15)16(24)12-23-6-2-5-21-23/h1-6,9,15H,7-8,10-12H2
InChIKeyZVVOYRHIJOKMSP-UHFFFAOYSA-N
XLogP2.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone (CID 45216593) is 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone is O=C(Cn1cccn1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
The InChIKey is ZVVOYRHIJOKMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)14-4-1-3-13(9-14)10-15-11-22(7-8-25-15)16(24)12-23-6-2-5-21-23/h1-6,9,15H,7-8,10-12H2.
What are the key properties of 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone has a molecular weight of 353.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 45216593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).