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

C8H9IN4O — CID 102811182

IUPAC5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
SMILESCCc1nn(C)cc1-c1nc(I)no1
InChIInChI=1S/C8H9IN4O/c1-3-6-5(4-13(2)11-6)7-10-8(9)12-14-7/h4H,3H2,1-2H3
InChIKeyLJRKEWLPGZMISX-UHFFFAOYSA-N
MW304.09 g/mol
LogP1.64
Rot. Bonds2

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

5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole (PubChem CID 102811182) has the molecular formula C8H9IN4O and a molecular weight of 304.09 g/mol. Its IUPAC name is 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
PubChem CID102811182
Molecular FormulaC8H9IN4O
Molecular Weight304.09 g/mol
Exact Mass303.98
IUPAC Name5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
SMILESCCc1nn(C)cc1-c1nc(I)no1
InChIInChI=1S/C8H9IN4O/c1-3-6-5(4-13(2)11-6)7-10-8(9)12-14-7/h4H,3H2,1-2H3
InChIKeyLJRKEWLPGZMISX-UHFFFAOYSA-N
XLogP1.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 51.64
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

5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167864904
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 102811165
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 102811168
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanamine
CID 112671322
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642485
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 130685221
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 112671008
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 112671315
5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670214

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole (CID 102811182) is 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole is CCc1nn(C)cc1-c1nc(I)no1.
What is the InChIKey of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
The InChIKey is LJRKEWLPGZMISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4O/c1-3-6-5(4-13(2)11-6)7-10-8(9)12-14-7/h4H,3H2,1-2H3.
What are the key properties of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole?
5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole has a molecular weight of 304.09 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 102811182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).