2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide

C15H23F3N4O2 — CID 136537104

IUPAC2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCn1cc(C(NC(=O)N2CC(C)(C)OC(C)(C)C2)C(F)(F)F)cn1
InChIInChI=1S/C15H23F3N4O2/c1-13(2)8-22(9-14(3,4)24-13)12(23)20-11(15(16,17)18)10-6-19-21(5)7-10/h6-7,11H,8-9H2,1-5H3,(H,20,23)
InChIKeyJMIRRHCPWSTPON-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.62
Rot. Bonds2

About 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide

2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide (PubChem CID 136537104) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
PubChem CID136537104
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCn1cc(C(NC(=O)N2CC(C)(C)OC(C)(C)C2)C(F)(F)F)cn1
InChIInChI=1S/C15H23F3N4O2/c1-13(2)8-22(9-14(3,4)24-13)12(23)20-11(15(16,17)18)10-6-19-21(5)7-10/h6-7,11H,8-9H2,1-5H3,(H,20,23)
InChIKeyJMIRRHCPWSTPON-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide (CID 136537104) is 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide is Cn1cc(C(NC(=O)N2CC(C)(C)OC(C)(C)C2)C(F)(F)F)cn1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is JMIRRHCPWSTPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-13(2)8-22(9-14(3,4)24-13)12(23)20-11(15(16,17)18)10-6-19-21(5)7-10/h6-7,11H,8-9H2,1-5H3,(H,20,23).
What are the key properties of 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 136537104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).