2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

C13H19F3N4O2 — CID 139018142

IUPAC2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESCCN1CCOCC1CC(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O2/c1-2-19-5-6-22-8-10(19)7-12(21)17-11-3-4-20(18-11)9-13(14,15)16/h3-4,10H,2,5-9H2,1H3,(H,17,18,21)
InChIKeyBMCXZBSKCAULST-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.49
Rot. Bonds5

About 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (PubChem CID 139018142) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
PubChem CID139018142
Molecular FormulaC13H19F3N4O2
Molecular Weight320.31 g/mol
Exact Mass320.15
IUPAC Name2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESCCN1CCOCC1CC(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O2/c1-2-19-5-6-22-8-10(19)7-12(21)17-11-3-4-20(18-11)9-13(14,15)16/h3-4,10H,2,5-9H2,1H3,(H,17,18,21)
InChIKeyBMCXZBSKCAULST-UHFFFAOYSA-N
XLogP1.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (CID 139018142) is 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is CCN1CCOCC1CC(=O)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The InChIKey is BMCXZBSKCAULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-2-19-5-6-22-8-10(19)7-12(21)17-11-3-4-20(18-11)9-13(14,15)16/h3-4,10H,2,5-9H2,1H3,(H,17,18,21).
What are the key properties of 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-3-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 139018142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).