2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine

C8H14BrN3 — CID 83645056

IUPAC2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine
SMILESCCc1c(Br)c(C)nn1CCN
InChIInChI=1S/C8H14BrN3/c1-3-7-8(9)6(2)11-12(7)5-4-10/h3-5,10H2,1-2H3
InChIKeyCOEITJYNVLJXLV-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine

2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine (PubChem CID 83645056) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine
PubChem CID83645056
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine
SMILESCCc1c(Br)c(C)nn1CCN
InChIInChI=1S/C8H14BrN3/c1-3-7-8(9)6(2)11-12(7)5-4-10/h3-5,10H2,1-2H3
InChIKeyCOEITJYNVLJXLV-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine (CID 83645056) is 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine is CCc1c(Br)c(C)nn1CCN.
What is the InChIKey of 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine?
The InChIKey is COEITJYNVLJXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-3-7-8(9)6(2)11-12(7)5-4-10/h3-5,10H2,1-2H3.
What are the key properties of 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine?
2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine has a molecular weight of 232.12 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 83645056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).