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

C17H20F3N3O — CID 45251126

IUPAC4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCn1cc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C17H20F3N3O/c1-22-10-14(9-21-22)11-23-5-6-24-16(12-23)8-13-3-2-4-15(7-13)17(18,19)20/h2-4,7,9-10,16H,5-6,8,11-12H2,1H3
InChIKeyCCQPWTDODWTUMT-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.88
Rot. Bonds4

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

4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 45251126) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID45251126
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCn1cc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C17H20F3N3O/c1-22-10-14(9-21-22)11-23-5-6-24-16(12-23)8-13-3-2-4-15(7-13)17(18,19)20/h2-4,7,9-10,16H,5-6,8,11-12H2,1H3
InChIKeyCCQPWTDODWTUMT-UHFFFAOYSA-N
XLogP2.88
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 45251126) is 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is Cn1cc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is CCQPWTDODWTUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-22-10-14(9-21-22)11-23-5-6-24-16(12-23)8-13-3-2-4-15(7-13)17(18,19)20/h2-4,7,9-10,16H,5-6,8,11-12H2,1H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 339.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 45251126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).