2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid

C11H19N3O2 — CID 102354188

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1nc(C(C)(C)C)cc1N
InChIInChI=1S/C11H19N3O2/c1-5-7(10(15)16)14-9(12)6-8(13-14)11(2,3)4/h6-7H,5,12H2,1-4H3,(H,15,16)
InChIKeyKBUZXRXOJQPKGU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.80
Rot. Bonds3

About 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid

2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid (PubChem CID 102354188) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid
PubChem CID102354188
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1nc(C(C)(C)C)cc1N
InChIInChI=1S/C11H19N3O2/c1-5-7(10(15)16)14-9(12)6-8(13-14)11(2,3)4/h6-7H,5,12H2,1-4H3,(H,15,16)
InChIKeyKBUZXRXOJQPKGU-UHFFFAOYSA-N
XLogP1.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-3-tert-butylpyrazol-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-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid (CID 102354188) is 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid is CCC(C(=O)O)n1nc(C(C)(C)C)cc1N.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid?
The InChIKey is KBUZXRXOJQPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-7(10(15)16)14-9(12)6-8(13-14)11(2,3)4/h6-7H,5,12H2,1-4H3,(H,15,16).
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid?
2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 102354188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).