2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid

C6H8BrN3O2 — CID 84796689

IUPAC2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
SMILESCn1ncc(C(N)C(=O)O)c1Br
InChIInChI=1S/C6H8BrN3O2/c1-10-5(7)3(2-9-10)4(8)6(11)12/h2,4H,8H2,1H3,(H,11,12)
InChIKeyKNCDPUHAFQOWSR-UHFFFAOYSA-N
MW234.05 g/mol
LogP0.27
Rot. Bonds2

About 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid

2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid (PubChem CID 84796689) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
PubChem CID84796689
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
SMILESCn1ncc(C(N)C(=O)O)c1Br
InChIInChI=1S/C6H8BrN3O2/c1-10-5(7)3(2-9-10)4(8)6(11)12/h2,4H,8H2,1H3,(H,11,12)
InChIKeyKNCDPUHAFQOWSR-UHFFFAOYSA-N
XLogP0.27
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid 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-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid (CID 84796689) is 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid is Cn1ncc(C(N)C(=O)O)c1Br.
What is the InChIKey of 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid?
The InChIKey is KNCDPUHAFQOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c1-10-5(7)3(2-9-10)4(8)6(11)12/h2,4H,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid?
2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid has a molecular weight of 234.05 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 84796689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).