4,5-diiodo-1,3-dimethylpyrazole

C5H6I2N2 — CID 3512863

IUPAC4,5-diiodo-1,3-dimethylpyrazole
SMILESCc1nn(C)c(I)c1I
InChIInChI=1S/C5H6I2N2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyPPHAJZAQWKWXGH-UHFFFAOYSA-N
MW347.93 g/mol
LogP1.94
Rot. Bonds

About 4,5-diiodo-1,3-dimethylpyrazole

4,5-diiodo-1,3-dimethylpyrazole (PubChem CID 3512863) has the molecular formula C5H6I2N2 and a molecular weight of 347.93 g/mol. Its IUPAC name is 4,5-diiodo-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4,5-diiodo-1,3-dimethylpyrazole
PubChem CID3512863
Molecular FormulaC5H6I2N2
Molecular Weight347.93 g/mol
Exact Mass347.86
IUPAC Name4,5-diiodo-1,3-dimethylpyrazole
SMILESCc1nn(C)c(I)c1I
InChIInChI=1S/C5H6I2N2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyPPHAJZAQWKWXGH-UHFFFAOYSA-N
XLogP1.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-1,3-dimethylpyrazole?
The IUPAC name of 4,5-diiodo-1,3-dimethylpyrazole (CID 3512863) is 4,5-diiodo-1,3-dimethylpyrazole.
What is the SMILES notation for 4,5-diiodo-1,3-dimethylpyrazole?
The canonical SMILES for 4,5-diiodo-1,3-dimethylpyrazole is Cc1nn(C)c(I)c1I.
What is the InChIKey of 4,5-diiodo-1,3-dimethylpyrazole?
The InChIKey is PPHAJZAQWKWXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6I2N2/c1-3-4(6)5(7)9(2)8-3/h1-2H3.
What are the key properties of 4,5-diiodo-1,3-dimethylpyrazole?
4,5-diiodo-1,3-dimethylpyrazole has a molecular weight of 347.93 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-1,3-dimethylpyrazole is sourced from PubChem (CID 3512863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).