5-iodo-1-(5-iodothiophen-2-yl)pyrazole

C7H4I2N2S — CID 53310194

IUPAC5-iodo-1-(5-iodothiophen-2-yl)pyrazole
SMILESIc1ccc(-n2nccc2I)s1
InChIInChI=1S/C7H4I2N2S/c8-5-3-4-10-11(5)7-2-1-6(9)12-7/h1-4H
InChIKeyLFRMVEYDEGLCJY-UHFFFAOYSA-N
MW402.00 g/mol
LogP3.14
Rot. Bonds1

About 5-iodo-1-(5-iodothiophen-2-yl)pyrazole

5-iodo-1-(5-iodothiophen-2-yl)pyrazole (PubChem CID 53310194) has the molecular formula C7H4I2N2S and a molecular weight of 402.00 g/mol. Its IUPAC name is 5-iodo-1-(5-iodothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name5-iodo-1-(5-iodothiophen-2-yl)pyrazole
PubChem CID53310194
Molecular FormulaC7H4I2N2S
Molecular Weight402.00 g/mol
Exact Mass401.82
IUPAC Name5-iodo-1-(5-iodothiophen-2-yl)pyrazole
SMILESIc1ccc(-n2nccc2I)s1
InChIInChI=1S/C7H4I2N2S/c8-5-3-4-10-11(5)7-2-1-6(9)12-7/h1-4H
InChIKeyLFRMVEYDEGLCJY-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.00
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(5-iodothiophen-2-yl)pyrazole?
The IUPAC name of 5-iodo-1-(5-iodothiophen-2-yl)pyrazole (CID 53310194) is 5-iodo-1-(5-iodothiophen-2-yl)pyrazole.
What is the SMILES notation for 5-iodo-1-(5-iodothiophen-2-yl)pyrazole?
The canonical SMILES for 5-iodo-1-(5-iodothiophen-2-yl)pyrazole is Ic1ccc(-n2nccc2I)s1.
What is the InChIKey of 5-iodo-1-(5-iodothiophen-2-yl)pyrazole?
The InChIKey is LFRMVEYDEGLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2N2S/c8-5-3-4-10-11(5)7-2-1-6(9)12-7/h1-4H.
What are the key properties of 5-iodo-1-(5-iodothiophen-2-yl)pyrazole?
5-iodo-1-(5-iodothiophen-2-yl)pyrazole has a molecular weight of 402.00 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(5-iodothiophen-2-yl)pyrazole is sourced from PubChem (CID 53310194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).