4,5-diiodo-1H-pyrazole

C3H2I2N2 — CID 15365649

IUPAC4,5-diiodo-1H-pyrazole
SMILESIc1cn[nH]c1I
InChIInChI=1S/C3H2I2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyNQFPCGSUWQGQNW-UHFFFAOYSA-N
MW319.87 g/mol
LogP1.62
Rot. Bonds

About 4,5-diiodo-1H-pyrazole

4,5-diiodo-1H-pyrazole (PubChem CID 15365649) has the molecular formula C3H2I2N2 and a molecular weight of 319.87 g/mol. Its IUPAC name is 4,5-diiodo-1H-pyrazole.

Molecular Properties

Compound Name4,5-diiodo-1H-pyrazole
PubChem CID15365649
Molecular FormulaC3H2I2N2
Molecular Weight319.87 g/mol
Exact Mass319.83
IUPAC Name4,5-diiodo-1H-pyrazole
SMILESIc1cn[nH]c1I
InChIInChI=1S/C3H2I2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyNQFPCGSUWQGQNW-UHFFFAOYSA-N
XLogP1.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.87
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Iodopyrazole
CID 77022
3-Iodo-1H-pyrazole
CID 1239830
4-fluoro-1H-pyrazole
CID 141992
3-iodo-4-methyl-1H-pyrazole
CID 67184620
3-iodo-1H-pyrazole-4-carbonitrile
CID 69554832
4-bromo-3-iodo-1H-pyrazole
CID 70807072
3-Iodo-4-chloro-1H-pyrazole
CID 90884073
3-bromo-4-iodo-1H-pyrazole
CID 91663939
3,4-Difluoro-1H-pyrazole
CID 12529273
3-Chloro-4-iodo-1H-pyrazole
CID 23537420
4-Fluoro-3-iodo-1H-pyrazole
CID 86052945
5-iodo-4-(trifluoromethyl)-1H-pyrazole
CID 101349466

Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-1H-pyrazole?
The IUPAC name of 4,5-diiodo-1H-pyrazole (CID 15365649) is 4,5-diiodo-1H-pyrazole.
What is the SMILES notation for 4,5-diiodo-1H-pyrazole?
The canonical SMILES for 4,5-diiodo-1H-pyrazole is Ic1cn[nH]c1I.
What is the InChIKey of 4,5-diiodo-1H-pyrazole?
The InChIKey is NQFPCGSUWQGQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2I2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 4,5-diiodo-1H-pyrazole?
4,5-diiodo-1H-pyrazole has a molecular weight of 319.87 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-1H-pyrazole is sourced from PubChem (CID 15365649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).