4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine

C12H18F3N3O — CID 129128460

IUPAC4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCC(C)n1cc(CN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-9(2)18-8-10(11(16-18)12(13,14)15)7-17-3-5-19-6-4-17/h8-9H,3-7H2,1-2H3
InChIKeyCYTYWTRJEWEYOY-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.32
Rot. Bonds3

About 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine

4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 129128460) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
PubChem CID129128460
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCC(C)n1cc(CN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-9(2)18-8-10(11(16-18)12(13,14)15)7-17-3-5-19-6-4-17/h8-9H,3-7H2,1-2H3
InChIKeyCYTYWTRJEWEYOY-UHFFFAOYSA-N
XLogP2.32
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (CID 129128460) is 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is CC(C)n1cc(CN2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is CYTYWTRJEWEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9(2)18-8-10(11(16-18)12(13,14)15)7-17-3-5-19-6-4-17/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 277.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 129128460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).