2-(2-formylphenyl)pyrazole-3-carboxylic acid

C11H8N2O3 — CID 84784603

IUPAC2-(2-formylphenyl)pyrazole-3-carboxylic acid
SMILESO=Cc1ccccc1-n1nccc1C(=O)O
InChIInChI=1S/C11H8N2O3/c14-7-8-3-1-2-4-9(8)13-10(11(15)16)5-6-12-13/h1-7H,(H,15,16)
InChIKeyPSADMEPRHYNHEA-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.38
Rot. Bonds3

About 2-(2-formylphenyl)pyrazole-3-carboxylic acid

2-(2-formylphenyl)pyrazole-3-carboxylic acid (PubChem CID 84784603) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(2-formylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-formylphenyl)pyrazole-3-carboxylic acid
PubChem CID84784603
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-(2-formylphenyl)pyrazole-3-carboxylic acid
SMILESO=Cc1ccccc1-n1nccc1C(=O)O
InChIInChI=1S/C11H8N2O3/c14-7-8-3-1-2-4-9(8)13-10(11(15)16)5-6-12-13/h1-7H,(H,15,16)
InChIKeyPSADMEPRHYNHEA-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2-formylphenyl)pyrazole-3-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-(2-formylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-formylphenyl)pyrazole-3-carboxylic acid (CID 84784603) is 2-(2-formylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-formylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-formylphenyl)pyrazole-3-carboxylic acid is O=Cc1ccccc1-n1nccc1C(=O)O.
What is the InChIKey of 2-(2-formylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is PSADMEPRHYNHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-7-8-3-1-2-4-9(8)13-10(11(15)16)5-6-12-13/h1-7H,(H,15,16).
What are the key properties of 2-(2-formylphenyl)pyrazole-3-carboxylic acid?
2-(2-formylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 84784603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).