2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine

C12H23N3O — CID 126619933

IUPAC2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine
SMILESCNCCOCCn1ccc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-12(2,3)11-5-7-15(14-11)8-10-16-9-6-13-4/h5,7,13H,6,8-10H2,1-4H3
InChIKeyCSHKEVNPBBZXDF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine

2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine (PubChem CID 126619933) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine
PubChem CID126619933
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine
SMILESCNCCOCCn1ccc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-12(2,3)11-5-7-15(14-11)8-10-16-9-6-13-4/h5,7,13H,6,8-10H2,1-4H3
InChIKeyCSHKEVNPBBZXDF-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine 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-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine (CID 126619933) is 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine is CNCCOCCn1ccc(C(C)(C)C)n1.
What is the InChIKey of 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine?
The InChIKey is CSHKEVNPBBZXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)11-5-7-15(14-11)8-10-16-9-6-13-4/h5,7,13H,6,8-10H2,1-4H3.
What are the key properties of 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine?
2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]-N-methylethanamine is sourced from PubChem (CID 126619933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).