4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

C18H22F3N3O — CID 45234546

IUPAC4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCn1cc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C18H22F3N3O/c1-2-24-12-15(10-22-24)11-23-6-7-25-17(13-23)9-14-4-3-5-16(8-14)18(19,20)21/h3-5,8,10,12,17H,2,6-7,9,11,13H2,1H3
InChIKeyXKCUIBTWHSGESA-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.37
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 45234546) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID45234546
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCn1cc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C18H22F3N3O/c1-2-24-12-15(10-22-24)11-23-6-7-25-17(13-23)9-14-4-3-5-16(8-14)18(19,20)21/h3-5,8,10,12,17H,2,6-7,9,11,13H2,1H3
InChIKeyXKCUIBTWHSGESA-UHFFFAOYSA-N
XLogP3.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529536
4-(2-Benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
CID 16192474
(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 30936167
2-(3-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]morpholine
CID 45190633
4-(1H-pyrazol-1-ylacetyl)-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45216593
4-(3-Phenylpropyl)-2-(pyrazol-1-ylmethyl)morpholine
CID 53557637
2-[4-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
CID 56780672
1-(4-Fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 56780676
1-(2-Fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 56780677
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[3-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56878396

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 45234546) is 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is CCn1cc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is XKCUIBTWHSGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-2-24-12-15(10-22-24)11-23-6-7-25-17(13-23)9-14-4-3-5-16(8-14)18(19,20)21/h3-5,8,10,12,17H,2,6-7,9,11,13H2,1H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 353.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 45234546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).