2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide

C11H18N4O2 — CID 62100894

IUPAC2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)Cn1ccc(N)n1)C1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-14(9-3-6-17-7-4-9)11(16)8-15-5-2-10(12)13-15/h2,5,9H,3-4,6-8H2,1H3,(H2,12,13)
InChIKeyVTKRHTXLZBCUQH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.10
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide

2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 62100894) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID62100894
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)Cn1ccc(N)n1)C1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-14(9-3-6-17-7-4-9)11(16)8-15-5-2-10(12)13-15/h2,5,9H,3-4,6-8H2,1H3,(H2,12,13)
InChIKeyVTKRHTXLZBCUQH-UHFFFAOYSA-N
XLogP0.10
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-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 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide (CID 62100894) is 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)Cn1ccc(N)n1)C1CCOCC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is VTKRHTXLZBCUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(9-3-6-17-7-4-9)11(16)8-15-5-2-10(12)13-15/h2,5,9H,3-4,6-8H2,1H3,(H2,12,13).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide?
2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 62100894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).