2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide

C13H24N4O — CID 106021739

IUPAC2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide
SMILESCCCCC(CCC)NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H24N4O/c1-3-5-7-12(6-4-2)16-13(18)10-17-9-11(14)8-15-17/h8-9,12H,3-7,10,14H2,1-2H3,(H,16,18)
InChIKeyPKNPKJWPOCXIIT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds8

About 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide

2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide (PubChem CID 106021739) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide
PubChem CID106021739
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide
SMILESCCCCC(CCC)NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H24N4O/c1-3-5-7-12(6-4-2)16-13(18)10-17-9-11(14)8-15-17/h8-9,12H,3-7,10,14H2,1-2H3,(H,16,18)
InChIKeyPKNPKJWPOCXIIT-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide 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-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide (CID 106021739) is 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide is CCCCC(CCC)NC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
The InChIKey is PKNPKJWPOCXIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-7-12(6-4-2)16-13(18)10-17-9-11(14)8-15-17/h8-9,12H,3-7,10,14H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide has a molecular weight of 252.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide is sourced from PubChem (CID 106021739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).