4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid

C8H12BrN3O2 — CID 84806943

IUPAC4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
SMILESCn1ncc(C(N)CCC(=O)O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-12-8(9)5(4-11-12)6(10)2-3-7(13)14/h4,6H,2-3,10H2,1H3,(H,13,14)
InChIKeyIGWKZVMIGAXLRV-UHFFFAOYSA-N
MW262.11 g/mol
LogP1.05
Rot. Bonds4

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

4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid (PubChem CID 84806943) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
PubChem CID84806943
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
SMILESCn1ncc(C(N)CCC(=O)O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-12-8(9)5(4-11-12)6(10)2-3-7(13)14/h4,6H,2-3,10H2,1H3,(H,13,14)
InChIKeyIGWKZVMIGAXLRV-UHFFFAOYSA-N
XLogP1.05
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
CID 84796689
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol
CID 131107730
4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid
CID 82601922
2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
CID 84785906
4-amino-4-(5-bromo-2-fluoro-3-methylphenyl)butanoic acid
CID 117468252
4-amino-4-(5-bromo-3-pyridinyl)butanoic acid
CID 84709705
4-amino-4-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714295
4-amino-4-(2-bromo-4-chlorophenyl)butanoic acid
CID 117472459
4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
CID 117472463

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid?
The IUPAC name of 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid (CID 84806943) is 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid is Cn1ncc(C(N)CCC(=O)O)c1Br.
What is the InChIKey of 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid?
The InChIKey is IGWKZVMIGAXLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-12-8(9)5(4-11-12)6(10)2-3-7(13)14/h4,6H,2-3,10H2,1H3,(H,13,14).
What are the key properties of 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid?
4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid has a molecular weight of 262.11 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid is sourced from PubChem (CID 84806943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).