2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide

C11H20N4O2 — CID 55035546

IUPAC2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide
SMILESCCCCOCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H20N4O2/c1-2-3-7-17-8-5-13-11(16)9-15-6-4-10(12)14-15/h4,6H,2-3,5,7-9H2,1H3,(H2,12,14)(H,13,16)
InChIKeyYGLTYCHIUBIIQV-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.40
Rot. Bonds8

About 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide (PubChem CID 55035546) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide
PubChem CID55035546
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide
SMILESCCCCOCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H20N4O2/c1-2-3-7-17-8-5-13-11(16)9-15-6-4-10(12)14-15/h4,6H,2-3,5,7-9H2,1H3,(H2,12,14)(H,13,16)
InChIKeyYGLTYCHIUBIIQV-UHFFFAOYSA-N
XLogP0.40
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide (CID 55035546) is 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide is CCCCOCCNC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide?
The InChIKey is YGLTYCHIUBIIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-3-7-17-8-5-13-11(16)9-15-6-4-10(12)14-15/h4,6H,2-3,5,7-9H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide has a molecular weight of 240.31 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(2-butoxyethyl)acetamide is sourced from PubChem (CID 55035546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).