5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid

C16H10N2O3Se — CID 46193614

IUPAC5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(-c3ccccc3)c3cc[se]c23)o1
InChIInChI=1S/C16H10N2O3Se/c19-16(20)13-7-6-12(21-13)14-15-11(8-9-22-15)18(17-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyNCGFOBXHTAXVGQ-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.04
Rot. Bonds3

About 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid

5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid (PubChem CID 46193614) has the molecular formula C16H10N2O3Se and a molecular weight of 357.23 g/mol. Its IUPAC name is 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid
PubChem CID46193614
Molecular FormulaC16H10N2O3Se
Molecular Weight357.23 g/mol
Exact Mass357.99
IUPAC Name5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(-c3ccccc3)c3cc[se]c23)o1
InChIInChI=1S/C16H10N2O3Se/c19-16(20)13-7-6-12(21-13)14-15-11(8-9-22-15)18(17-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyNCGFOBXHTAXVGQ-UHFFFAOYSA-N
XLogP3.04
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid (CID 46193614) is 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2nn(-c3ccccc3)c3cc[se]c23)o1.
What is the InChIKey of 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid?
The InChIKey is NCGFOBXHTAXVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3Se/c19-16(20)13-7-6-12(21-13)14-15-11(8-9-22-15)18(17-14)10-4-2-1-3-5-10/h1-9H,(H,19,20).
What are the key properties of 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid?
5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid has a molecular weight of 357.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 46193614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).