3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid

C9H12BrN3O3 — CID 119362781

IUPAC3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C9H12BrN3O3/c1-12(3-2-9(15)16)8(14)6-13-5-7(10)4-11-13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyLZLHPAOFYQVEDG-UHFFFAOYSA-N
MW290.12 g/mol
LogP0.58
Rot. Bonds5

About 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid

3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid (PubChem CID 119362781) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid
PubChem CID119362781
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C9H12BrN3O3/c1-12(3-2-9(15)16)8(14)6-13-5-7(10)4-11-13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyLZLHPAOFYQVEDG-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic 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

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-bromopyrazol-1-yl)-N-methylacetamide
CID 19531206
2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide
CID 78893614
2-[methyl-[2-(4-methylpyrazol-1-yl)acetyl]amino]acetic acid
CID 90066955
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
N-(3-aminopropyl)-N-methyl-2-(4-methylpyrazol-1-yl)acetamide
CID 60874037
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(3-but-3-ynyldiazirin-3-yl)-N-methylpropanamide
CID 167811170
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
(2S)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119361792
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
3-[[2-(4-bromo-2-methylphenyl)acetyl]-methylamino]propanoic acid
CID 120525052

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid (CID 119362781) is 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)Cn1cc(Br)cn1.
What is the InChIKey of 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is LZLHPAOFYQVEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-12(3-2-9(15)16)8(14)6-13-5-7(10)4-11-13/h4-5H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid?
3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 290.12 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromopyrazol-1-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).