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

C13H19F3N4O2 — CID 19530795

IUPACN-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCCN1CCOCC1
InChIInChI=1S/C13H19F3N4O2/c14-13(15,16)11-2-5-20(18-11)10-12(21)17-3-1-4-19-6-8-22-9-7-19/h2,5H,1,3-4,6-10H2,(H,17,21)
InChIKeyIZYLKEGTOFJPHV-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.74
Rot. Bonds6

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

N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530795) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530795
Molecular FormulaC13H19F3N4O2
Molecular Weight320.31 g/mol
Exact Mass320.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCCN1CCOCC1
InChIInChI=1S/C13H19F3N4O2/c14-13(15,16)11-2-5-20(18-11)10-12(21)17-3-1-4-19-6-8-22-9-7-19/h2,5H,1,3-4,6-10H2,(H,17,21)
InChIKeyIZYLKEGTOFJPHV-UHFFFAOYSA-N
XLogP0.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530795) is N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IZYLKEGTOFJPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c14-13(15,16)11-2-5-20(18-11)10-12(21)17-3-1-4-19-6-8-22-9-7-19/h2,5H,1,3-4,6-10H2,(H,17,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 320.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).