2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid

C8H12N2O3 — CID 83876374

IUPAC2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
SMILESCCn1[nH]c(C(C)C(=O)O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-3-10-7(11)4-6(9-10)5(2)8(12)13/h4-5,9H,3H2,1-2H3,(H,12,13)
InChIKeyBLSDTFIXKRJZDG-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.38
Rot. Bonds3

About 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid

2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid (PubChem CID 83876374) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
PubChem CID83876374
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
SMILESCCn1[nH]c(C(C)C(=O)O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-3-10-7(11)4-6(9-10)5(2)8(12)13/h4-5,9H,3H2,1-2H3,(H,12,13)
InChIKeyBLSDTFIXKRJZDG-UHFFFAOYSA-N
XLogP0.38
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethyl-3-oxo-1H-pyrazol-5-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-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid (CID 83876374) is 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid is CCn1[nH]c(C(C)C(=O)O)cc1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The InChIKey is BLSDTFIXKRJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-10-7(11)4-6(9-10)5(2)8(12)13/h4-5,9H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 83876374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).