2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine

C13H17N3O — CID 103482340

IUPAC2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
SMILESNCCOCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C13H17N3O/c14-6-8-17-9-7-16-11-13(10-15-16)12-4-2-1-3-5-12/h1-5,10-11H,6-9,14H2
InChIKeyDEBOVJMZAIDBLY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.53
Rot. Bonds6

About 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine

2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine (PubChem CID 103482340) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
PubChem CID103482340
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
SMILESNCCOCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C13H17N3O/c14-6-8-17-9-7-16-11-13(10-15-16)12-4-2-1-3-5-12/h1-5,10-11H,6-9,14H2
InChIKeyDEBOVJMZAIDBLY-UHFFFAOYSA-N
XLogP1.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine 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-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine (CID 103482340) is 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine is NCCOCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine?
The InChIKey is DEBOVJMZAIDBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-6-8-17-9-7-16-11-13(10-15-16)12-4-2-1-3-5-12/h1-5,10-11H,6-9,14H2.
What are the key properties of 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine?
2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 103482340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).