2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine

C17H20F3N3O2 — CID 110095038

IUPAC2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine
SMILESCn1nc(C2CNCCO2)cc1CCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N3O2/c1-23-13(10-15(22-23)16-11-21-7-9-25-16)6-8-24-14-4-2-12(3-5-14)17(18,19)20/h2-5,10,16,21H,6-9,11H2,1H3
InChIKeyIRLHEAJQQOCNOA-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.72
Rot. Bonds5

About 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine

2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine (PubChem CID 110095038) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine
PubChem CID110095038
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine
SMILESCn1nc(C2CNCCO2)cc1CCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N3O2/c1-23-13(10-15(22-23)16-11-21-7-9-25-16)6-8-24-14-4-2-12(3-5-14)17(18,19)20/h2-5,10,16,21H,6-9,11H2,1H3
InChIKeyIRLHEAJQQOCNOA-UHFFFAOYSA-N
XLogP2.72
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
US11576897, Example 20
CID 56600157
US10183913, Example 33
CID 56600546
US10183913, Example 144
CID 56600955
US10183913, Example 147
CID 56600958
US10183913, Example 269
CID 56601153
US10183913, Example 315
CID 56601348
US10183913, Example 258
CID 56601749
US10183913, Example 447
CID 56601947
US10183913, Example 481
CID 56602155
US11576897, Example 295
CID 66664957
US11576897, Example 293
CID 66665530

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine?
The IUPAC name of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine (CID 110095038) is 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine.
What is the SMILES notation for 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine?
The canonical SMILES for 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine is Cn1nc(C2CNCCO2)cc1CCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine?
The InChIKey is IRLHEAJQQOCNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-23-13(10-15(22-23)16-11-21-7-9-25-16)6-8-24-14-4-2-12(3-5-14)17(18,19)20/h2-5,10,16,21H,6-9,11H2,1H3.
What are the key properties of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine?
2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine has a molecular weight of 355.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine is sourced from PubChem (CID 110095038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).