5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H5N3O3 — CID 175176217

IUPAC5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=Cc1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C8H5N3O3/c12-4-5-1-2-11-7(10-5)6(3-9-11)8(13)14/h1-4H,(H,13,14)
InChIKeyGBSDIMUWYWGBAX-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.24
Rot. Bonds2

About 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 175176217) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID175176217
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=Cc1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C8H5N3O3/c12-4-5-1-2-11-7(10-5)6(3-9-11)8(13)14/h1-4H,(H,13,14)
InChIKeyGBSDIMUWYWGBAX-UHFFFAOYSA-N
XLogP0.24
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-formylpyrazolo[1,5-a]pyrimidine-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 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 175176217) is 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=Cc1ccn2ncc(C(=O)O)c2n1.
What is the InChIKey of 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GBSDIMUWYWGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-4-5-1-2-11-7(10-5)6(3-9-11)8(13)14/h1-4H,(H,13,14).
What are the key properties of 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 191.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 175176217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).