4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine

C10H14F3N3O — CID 90167966

IUPAC4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-15-6-8(9(14-15)10(11,12)13)7-16-2-4-17-5-3-16/h6H,2-5,7H2,1H3
InChIKeyPBOALOOVMMUMAE-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.27
Rot. Bonds2

About 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine

4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 90167966) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
PubChem CID90167966
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-15-6-8(9(14-15)10(11,12)13)7-16-2-4-17-5-3-16/h6H,2-5,7H2,1H3
InChIKeyPBOALOOVMMUMAE-UHFFFAOYSA-N
XLogP1.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (CID 90167966) is 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is Cn1cc(CN2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is PBOALOOVMMUMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-15-6-8(9(14-15)10(11,12)13)7-16-2-4-17-5-3-16/h6H,2-5,7H2,1H3.
What are the key properties of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 249.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 90167966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).