6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C8H6N4O2 — CID 50989583

IUPAC6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2cc(C=O)cnc12
InChIInChI=1S/C8H6N4O2/c9-7(14)6-2-11-12-3-5(4-13)1-10-8(6)12/h1-4H,(H2,9,14)
InChIKeyGTSNCTFMMWKAIA-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.36
Rot. Bonds2

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

6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50989583) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50989583
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2cc(C=O)cnc12
InChIInChI=1S/C8H6N4O2/c9-7(14)6-2-11-12-3-5(4-13)1-10-8(6)12/h1-4H,(H2,9,14)
InChIKeyGTSNCTFMMWKAIA-UHFFFAOYSA-N
XLogP-0.36
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.36
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-carboxamide 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-carboxamide?
The IUPAC name of 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50989583) is 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2cc(C=O)cnc12.
What is the InChIKey of 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GTSNCTFMMWKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-7(14)6-2-11-12-3-5(4-13)1-10-8(6)12/h1-4H,(H2,9,14).
What are the key properties of 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-formylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 190.16 g/mol, XLogP of -0.36, 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-carboxamide is sourced from PubChem (CID 50989583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).