3-(5-aminopyrazol-1-yl)propanoic acid

C6H9N3O2 — CID 23005548

IUPAC3-(5-aminopyrazol-1-yl)propanoic acid
SMILESNc1ccnn1CCC(=O)O
InChIInChI=1S/C6H9N3O2/c7-5-1-3-8-9(5)4-2-6(10)11/h1,3H,2,4,7H2,(H,10,11)
InChIKeyXAGIGQQMXQEZHH-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.06
Rot. Bonds3

About 3-(5-aminopyrazol-1-yl)propanoic acid

3-(5-aminopyrazol-1-yl)propanoic acid (PubChem CID 23005548) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-(5-aminopyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-aminopyrazol-1-yl)propanoic acid
PubChem CID23005548
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-(5-aminopyrazol-1-yl)propanoic acid
SMILESNc1ccnn1CCC(=O)O
InChIInChI=1S/C6H9N3O2/c7-5-1-3-8-9(5)4-2-6(10)11/h1,3H,2,4,7H2,(H,10,11)
InChIKeyXAGIGQQMXQEZHH-UHFFFAOYSA-N
XLogP-0.06
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopyrazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-aminopyrazol-1-yl)propanoic acid (CID 23005548) is 3-(5-aminopyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-aminopyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-aminopyrazol-1-yl)propanoic acid is Nc1ccnn1CCC(=O)O.
What is the InChIKey of 3-(5-aminopyrazol-1-yl)propanoic acid?
The InChIKey is XAGIGQQMXQEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-5-1-3-8-9(5)4-2-6(10)11/h1,3H,2,4,7H2,(H,10,11).
What are the key properties of 3-(5-aminopyrazol-1-yl)propanoic acid?
3-(5-aminopyrazol-1-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopyrazol-1-yl)propanoic acid is sourced from PubChem (CID 23005548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).