1H-selenopheno[2,3-d]pyrazole

C5H4N2Se — CID 87226097

IUPAC1H-selenopheno[2,3-d]pyrazole
SMILESc1cc2[nH]ncc2[se]1
InChIInChI=1S/C5H4N2Se/c1-2-8-5-3-6-7-4(1)5/h1-3H,(H,6,7)
InChIKeyIBJXGVTWKUEIJR-UHFFFAOYSA-N
MW171.06 g/mol
LogP0.62
Rot. Bonds

About 1H-selenopheno[2,3-d]pyrazole

1H-selenopheno[2,3-d]pyrazole (PubChem CID 87226097) has the molecular formula C5H4N2Se and a molecular weight of 171.06 g/mol. Its IUPAC name is 1H-selenopheno[2,3-d]pyrazole.

Molecular Properties

Compound Name1H-selenopheno[2,3-d]pyrazole
PubChem CID87226097
Molecular FormulaC5H4N2Se
Molecular Weight171.06 g/mol
Exact Mass171.95
IUPAC Name1H-selenopheno[2,3-d]pyrazole
SMILESc1cc2[nH]ncc2[se]1
InChIInChI=1S/C5H4N2Se/c1-2-8-5-3-6-7-4(1)5/h1-3H,(H,6,7)
InChIKeyIBJXGVTWKUEIJR-UHFFFAOYSA-N
XLogP0.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.06
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1H-selenopheno[2,3-d]pyrazole 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 1H-selenopheno[2,3-d]pyrazole?
The IUPAC name of 1H-selenopheno[2,3-d]pyrazole (CID 87226097) is 1H-selenopheno[2,3-d]pyrazole.
What is the SMILES notation for 1H-selenopheno[2,3-d]pyrazole?
The canonical SMILES for 1H-selenopheno[2,3-d]pyrazole is c1cc2[nH]ncc2[se]1.
What is the InChIKey of 1H-selenopheno[2,3-d]pyrazole?
The InChIKey is IBJXGVTWKUEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2Se/c1-2-8-5-3-6-7-4(1)5/h1-3H,(H,6,7).
What are the key properties of 1H-selenopheno[2,3-d]pyrazole?
1H-selenopheno[2,3-d]pyrazole has a molecular weight of 171.06 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-selenopheno[2,3-d]pyrazole is sourced from PubChem (CID 87226097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).