N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H19F3N4O2 — CID 51078104

IUPACN-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C13H19F3N4O2/c1-10(19-4-6-22-7-5-19)8-17-12(21)9-20-3-2-11(18-20)13(14,15)16/h2-3,10H,4-9H2,1H3,(H,17,21)
InChIKeyGVUPSUSJDCNIIZ-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.74
Rot. Bonds5

About N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 51078104) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID51078104
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC NameN-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C13H19F3N4O2/c1-10(19-4-6-22-7-5-19)8-17-12(21)9-20-3-2-11(18-20)13(14,15)16/h2-3,10H,4-9H2,1H3,(H,17,21)
InChIKeyGVUPSUSJDCNIIZ-UHFFFAOYSA-N
XLogP0.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 51078104) is N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GVUPSUSJDCNIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-10(19-4-6-22-7-5-19)8-17-12(21)9-20-3-2-11(18-20)13(14,15)16/h2-3,10H,4-9H2,1H3,(H,17,21).
What are the key properties of N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 320.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 51078104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).