5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine

C9H17N3O3 — CID 142435449

IUPAC5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine
SMILESCOCCOCCOc1cc(N)nn1C
InChIInChI=1S/C9H17N3O3/c1-12-9(7-8(10)11-12)15-6-5-14-4-3-13-2/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeySGLOEQOFYZMEKW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.04
Rot. Bonds7

About 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine

5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine (PubChem CID 142435449) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine
PubChem CID142435449
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine
SMILESCOCCOCCOc1cc(N)nn1C
InChIInChI=1S/C9H17N3O3/c1-12-9(7-8(10)11-12)15-6-5-14-4-3-13-2/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeySGLOEQOFYZMEKW-UHFFFAOYSA-N
XLogP0.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine 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 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine (CID 142435449) is 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine is COCCOCCOc1cc(N)nn1C.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine?
The InChIKey is SGLOEQOFYZMEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-12-9(7-8(10)11-12)15-6-5-14-4-3-13-2/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine?
5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine has a molecular weight of 215.25 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine is sourced from PubChem (CID 142435449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).