2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

C6H8N2O3 — CID 67318648

IUPAC2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C6H8N2O3/c1-3(6(10)11)4-2-5(9)8-7-4/h2-3H,1H3,(H,10,11)(H2,7,8,9)
InChIKeyYBTITEPCJOSKDW-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.11
Rot. Bonds2

About 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (PubChem CID 67318648) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
PubChem CID67318648
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C6H8N2O3/c1-3(6(10)11)4-2-5(9)8-7-4/h2-3H,1H3,(H,10,11)(H2,7,8,9)
InChIKeyYBTITEPCJOSKDW-UHFFFAOYSA-N
XLogP-0.11
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(5-oxo-1,2-dihydropyrazol-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (CID 67318648) is 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is CC(C(=O)O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The InChIKey is YBTITEPCJOSKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3(6(10)11)4-2-5(9)8-7-4/h2-3H,1H3,(H,10,11)(H2,7,8,9).
What are the key properties of 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is sourced from PubChem (CID 67318648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).