5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole

C6H4BrIN4O — CID 130685221

IUPAC5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
SMILESCn1ncc(-c2nc(I)no2)c1Br
InChIInChI=1S/C6H4BrIN4O/c1-12-4(7)3(2-9-12)5-10-6(8)11-13-5/h2H,1H3
InChIKeyVLGKRIHIZQDONF-UHFFFAOYSA-N
MW354.93 g/mol
LogP1.84
Rot. Bonds1

About 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole

5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole (PubChem CID 130685221) has the molecular formula C6H4BrIN4O and a molecular weight of 354.93 g/mol. Its IUPAC name is 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
PubChem CID130685221
Molecular FormulaC6H4BrIN4O
Molecular Weight354.93 g/mol
Exact Mass353.86
IUPAC Name5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
SMILESCn1ncc(-c2nc(I)no2)c1Br
InChIInChI=1S/C6H4BrIN4O/c1-12-4(7)3(2-9-12)5-10-6(8)11-13-5/h2H,1H3
InChIKeyVLGKRIHIZQDONF-UHFFFAOYSA-N
XLogP1.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 130905396
5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 102811182
3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112572229
5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 167856572
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-methylpyrazol-5-amine
CID 54939679
5-(2-tert-butylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572364
3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114822769
3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
CID 127006262
3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
CID 136812652
5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572230
5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole
CID 90028414
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole (CID 130685221) is 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole is Cn1ncc(-c2nc(I)no2)c1Br.
What is the InChIKey of 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
The InChIKey is VLGKRIHIZQDONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrIN4O/c1-12-4(7)3(2-9-12)5-10-6(8)11-13-5/h2H,1H3.
What are the key properties of 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole has a molecular weight of 354.93 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 130685221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).