2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid

C6H8N2O3 — CID 151585861

IUPAC2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid
SMILESCCN1CC(=O)C(C(=O)O)=N1
InChIInChI=1S/C6H8N2O3/c1-2-8-3-4(9)5(7-8)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyQHLYXMDINGTHPR-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.67
Rot. Bonds2

About 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid

2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid (PubChem CID 151585861) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid
PubChem CID151585861
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid
SMILESCCN1CC(=O)C(C(=O)O)=N1
InChIInChI=1S/C6H8N2O3/c1-2-8-3-4(9)5(7-8)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyQHLYXMDINGTHPR-UHFFFAOYSA-N
XLogP-0.67
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic 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-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid (CID 151585861) is 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid is CCN1CC(=O)C(C(=O)O)=N1.
What is the InChIKey of 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid?
The InChIKey is QHLYXMDINGTHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-8-3-4(9)5(7-8)6(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid?
2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 151585861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).