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

C11H8IN5O — CID 4777581

IUPAC2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCn1cc(I)c(-c2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C11H8IN5O/c1-17-6-8(12)9(16-17)11-15-14-10(18-11)7-2-4-13-5-3-7/h2-6H,1H3
InChIKeyLUACQIPFXXHDLT-UHFFFAOYSA-N
MW353.12 g/mol
LogP2.14
Rot. Bonds2

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

2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 4777581) has the molecular formula C11H8IN5O and a molecular weight of 353.12 g/mol. Its IUPAC name is 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID4777581
Molecular FormulaC11H8IN5O
Molecular Weight353.12 g/mol
Exact Mass352.98
IUPAC Name2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCn1cc(I)c(-c2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C11H8IN5O/c1-17-6-8(12)9(16-17)11-15-14-10(18-11)7-2-4-13-5-3-7/h2-6H,1H3
InChIKeyLUACQIPFXXHDLT-UHFFFAOYSA-N
XLogP2.14
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 4777581) is 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is Cn1cc(I)c(-c2nnc(-c3ccncc3)o2)n1.
What is the InChIKey of 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is LUACQIPFXXHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5O/c1-17-6-8(12)9(16-17)11-15-14-10(18-11)7-2-4-13-5-3-7/h2-6H,1H3.
What are the key properties of 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 353.12 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 4777581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).