2-(4-amino-3-methylpyrazol-1-yl)butanoic acid

C8H13N3O2 — CID 165480611

IUPAC2-(4-amino-3-methylpyrazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1cc(N)c(C)n1
InChIInChI=1S/C8H13N3O2/c1-3-7(8(12)13)11-4-6(9)5(2)10-11/h4,7H,3,9H2,1-2H3,(H,12,13)
InChIKeyYESIILFRNQKGIV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid

2-(4-amino-3-methylpyrazol-1-yl)butanoic acid (PubChem CID 165480611) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-amino-3-methylpyrazol-1-yl)butanoic acid
PubChem CID165480611
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(4-amino-3-methylpyrazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1cc(N)c(C)n1
InChIInChI=1S/C8H13N3O2/c1-3-7(8(12)13)11-4-6(9)5(2)10-11/h4,7H,3,9H2,1-2H3,(H,12,13)
InChIKeyYESIILFRNQKGIV-UHFFFAOYSA-N
XLogP0.81
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-3-methylpyrazol-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid?
The IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid (CID 165480611) is 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid is CCC(C(=O)O)n1cc(N)c(C)n1.
What is the InChIKey of 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid?
The InChIKey is YESIILFRNQKGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-7(8(12)13)11-4-6(9)5(2)10-11/h4,7H,3,9H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid?
2-(4-amino-3-methylpyrazol-1-yl)butanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 165480611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).