2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine

C11H20BrN3O — CID 62565069

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCn1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3O/c1-4-16-8-6-13-5-7-15-10(3)11(12)9(2)14-15/h13H,4-8H2,1-3H3
InChIKeyFOXMSDWEPVUDFC-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.89
Rot. Bonds7

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 62565069) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID62565069
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCn1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3O/c1-4-16-8-6-13-5-7-15-10(3)11(12)9(2)14-15/h13H,4-8H2,1-3H3
InChIKeyFOXMSDWEPVUDFC-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine (CID 62565069) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNCCn1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is FOXMSDWEPVUDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-4-16-8-6-13-5-7-15-10(3)11(12)9(2)14-15/h13H,4-8H2,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 290.20 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 62565069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).