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

C13H19F3N4O2 — CID 51080920

IUPACN-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(CN1CCOCC1)NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O2/c1-10(8-19-4-6-22-7-5-19)17-12(21)9-20-3-2-11(18-20)13(14,15)16/h2-3,10H,4-9H2,1H3,(H,17,21)
InChIKeyOMQMVLFVLHCSRS-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.74
Rot. Bonds5

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

N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 51080920) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID51080920
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(CN1CCOCC1)NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O2/c1-10(8-19-4-6-22-7-5-19)17-12(21)9-20-3-2-11(18-20)13(14,15)16/h2-3,10H,4-9H2,1H3,(H,17,21)
InChIKeyOMQMVLFVLHCSRS-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-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 51080920) is N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(CN1CCOCC1)NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is OMQMVLFVLHCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-10(8-19-4-6-22-7-5-19)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-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-morpholin-4-ylpropan-2-yl)-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-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 51080920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).