2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide

C13H20N4O — CID 55035971

IUPAC2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1ccc(N)n1)C1CCCC1
InChIInChI=1S/C13H20N4O/c1-2-8-17(11-5-3-4-6-11)13(18)10-16-9-7-12(14)15-16/h2,7,9,11H,1,3-6,8,10H2,(H2,14,15)
InChIKeyBPDKPJJKTATZPO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide

2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide (PubChem CID 55035971) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
PubChem CID55035971
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1ccc(N)n1)C1CCCC1
InChIInChI=1S/C13H20N4O/c1-2-8-17(11-5-3-4-6-11)13(18)10-16-9-7-12(14)15-16/h2,7,9,11H,1,3-6,8,10H2,(H2,14,15)
InChIKeyBPDKPJJKTATZPO-UHFFFAOYSA-N
XLogP1.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide 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-cyclopentyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide (CID 55035971) is 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide is C=CCN(C(=O)Cn1ccc(N)n1)C1CCCC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide?
The InChIKey is BPDKPJJKTATZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-8-17(11-5-3-4-6-11)13(18)10-16-9-7-12(14)15-16/h2,7,9,11H,1,3-6,8,10H2,(H2,14,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide?
2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide is sourced from PubChem (CID 55035971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).