4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

C18H22F3N3O — CID 45247642

IUPAC4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CC2CN(CCCn3cccn3)CCO2)c1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)16-5-1-4-15(12-16)13-17-14-23(10-11-25-17)7-3-9-24-8-2-6-22-24/h1-2,4-6,8,12,17H,3,7,9-11,13-14H2
InChIKeyYEOZQHWTQYMPSU-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.24
Rot. Bonds6

About 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 45247642) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID45247642
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CC2CN(CCCn3cccn3)CCO2)c1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)16-5-1-4-15(12-16)13-17-14-23(10-11-25-17)7-3-9-24-8-2-6-22-24/h1-2,4-6,8,12,17H,3,7,9-11,13-14H2
InChIKeyYEOZQHWTQYMPSU-UHFFFAOYSA-N
XLogP3.24
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 45247642) is 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1cccc(CC2CN(CCCn3cccn3)CCO2)c1.
What is the InChIKey of 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is YEOZQHWTQYMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c19-18(20,21)16-5-1-4-15(12-16)13-17-14-23(10-11-25-17)7-3-9-24-8-2-6-22-24/h1-2,4-6,8,12,17H,3,7,9-11,13-14H2.
What are the key properties of 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 353.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylpropyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 45247642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).