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

C6H10BrN3 — CID 83852151

IUPAC2-(5-bromo-1-methylpyrazol-3-yl)ethanamine
SMILESCn1nc(CCN)cc1Br
InChIInChI=1S/C6H10BrN3/c1-10-6(7)4-5(9-10)2-3-8/h4H,2-3,8H2,1H3
InChIKeyVVSCEEGGWHOFBM-UHFFFAOYSA-N
MW204.07 g/mol
LogP0.68
Rot. Bonds2

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

2-(5-bromo-1-methylpyrazol-3-yl)ethanamine (PubChem CID 83852151) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrazol-3-yl)ethanamine
PubChem CID83852151
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name2-(5-bromo-1-methylpyrazol-3-yl)ethanamine
SMILESCn1nc(CCN)cc1Br
InChIInChI=1S/C6H10BrN3/c1-10-6(7)4-5(9-10)2-3-8/h4H,2-3,8H2,1H3
InChIKeyVVSCEEGGWHOFBM-UHFFFAOYSA-N
XLogP0.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine (CID 83852151) is 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine is Cn1nc(CCN)cc1Br.
What is the InChIKey of 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine?
The InChIKey is VVSCEEGGWHOFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-10-6(7)4-5(9-10)2-3-8/h4H,2-3,8H2,1H3.
What are the key properties of 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine?
2-(5-bromo-1-methylpyrazol-3-yl)ethanamine has a molecular weight of 204.07 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 83852151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).