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

C8H5N3O3 — CID 86661367

IUPAC6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=Cc1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C8H5N3O3/c12-4-5-1-9-7-6(8(13)14)2-10-11(7)3-5/h1-4H,(H,13,14)
InChIKeyBLFAQVDMGROPLP-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.24
Rot. Bonds2

About 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 86661367) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID86661367
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=Cc1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C8H5N3O3/c12-4-5-1-9-7-6(8(13)14)2-10-11(7)3-5/h1-4H,(H,13,14)
InChIKeyBLFAQVDMGROPLP-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 6-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 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 86661367) is 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=Cc1cnc2c(C(=O)O)cnn2c1.
What is the InChIKey of 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BLFAQVDMGROPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-4-5-1-9-7-6(8(13)14)2-10-11(7)3-5/h1-4H,(H,13,14).
What are the key properties of 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-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 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 86661367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).