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

C11H16F3N3O — CID 118357775

IUPAC4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCCn1cc(CN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-2-17-8-9(10(15-17)11(12,13)14)7-16-3-5-18-6-4-16/h8H,2-7H2,1H3
InChIKeyJBVXBWFIMSYBRT-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.75
Rot. Bonds3

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

4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 118357775) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
PubChem CID118357775
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCCn1cc(CN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-2-17-8-9(10(15-17)11(12,13)14)7-16-3-5-18-6-4-16/h8H,2-7H2,1H3
InChIKeyJBVXBWFIMSYBRT-UHFFFAOYSA-N
XLogP1.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (CID 118357775) is 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is CCn1cc(CN2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is JBVXBWFIMSYBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-17-8-9(10(15-17)11(12,13)14)7-16-3-5-18-6-4-16/h8H,2-7H2,1H3.
What are the key properties of 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 263.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 118357775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).