2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide

C11H20N4O — CID 86789477

IUPAC2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
SMILESCCC(NCC(N)=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O/c1-5-9(13-6-10(12)16)11-7(2)14-15(4)8(11)3/h9,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyOJVOJSICBXBXPJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.56
Rot. Bonds5

About 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide

2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide (PubChem CID 86789477) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide.

Molecular Properties

Compound Name2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
PubChem CID86789477
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
SMILESCCC(NCC(N)=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O/c1-5-9(13-6-10(12)16)11-7(2)14-15(4)8(11)3/h9,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyOJVOJSICBXBXPJ-UHFFFAOYSA-N
XLogP0.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]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 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
The IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide (CID 86789477) is 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide.
What is the SMILES notation for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
The canonical SMILES for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide is CCC(NCC(N)=O)c1c(C)nn(C)c1C.
What is the InChIKey of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
The InChIKey is OJVOJSICBXBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-9(13-6-10(12)16)11-7(2)14-15(4)8(11)3/h9,13H,5-6H2,1-4H3,(H2,12,16).
What are the key properties of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide is sourced from PubChem (CID 86789477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).