5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

C12H11N3O2 — CID 28606397

IUPAC5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccn2)c1C1CC1
InChIInChI=1S/C12H11N3O2/c16-12(17)9-7-14-15(11(9)8-4-5-8)10-3-1-2-6-13-10/h1-3,6-8H,4-5H2,(H,16,17)
InChIKeyQNXCBZBVGWLWCK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.84
Rot. Bonds3

About 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 28606397) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID28606397
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccn2)c1C1CC1
InChIInChI=1S/C12H11N3O2/c16-12(17)9-7-14-15(11(9)8-4-5-8)10-3-1-2-6-13-10/h1-3,6-8H,4-5H2,(H,16,17)
InChIKeyQNXCBZBVGWLWCK-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-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 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (CID 28606397) is 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccn2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is QNXCBZBVGWLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)9-7-14-15(11(9)8-4-5-8)10-3-1-2-6-13-10/h1-3,6-8H,4-5H2,(H,16,17).
What are the key properties of 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 28606397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).