3-(azetidin-3-yl)-5-iodo-1-methylpyrazole

C7H10IN3 — CID 90286680

IUPAC3-(azetidin-3-yl)-5-iodo-1-methylpyrazole
SMILESCn1nc(C2CNC2)cc1I
InChIInChI=1S/C7H10IN3/c1-11-7(8)2-6(10-11)5-3-9-4-5/h2,5,9H,3-4H2,1H3
InChIKeyASFLRUPAJCADCA-UHFFFAOYSA-N
MW263.08 g/mol
LogP0.71
Rot. Bonds1

About 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole

3-(azetidin-3-yl)-5-iodo-1-methylpyrazole (PubChem CID 90286680) has the molecular formula C7H10IN3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-iodo-1-methylpyrazole
PubChem CID90286680
Molecular FormulaC7H10IN3
Molecular Weight263.08 g/mol
Exact Mass262.99
IUPAC Name3-(azetidin-3-yl)-5-iodo-1-methylpyrazole
SMILESCn1nc(C2CNC2)cc1I
InChIInChI=1S/C7H10IN3/c1-11-7(8)2-6(10-11)5-3-9-4-5/h2,5,9H,3-4H2,1H3
InChIKeyASFLRUPAJCADCA-UHFFFAOYSA-N
XLogP0.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole?
The IUPAC name of 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole (CID 90286680) is 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole.
What is the SMILES notation for 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole?
The canonical SMILES for 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole is Cn1nc(C2CNC2)cc1I.
What is the InChIKey of 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole?
The InChIKey is ASFLRUPAJCADCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3/c1-11-7(8)2-6(10-11)5-3-9-4-5/h2,5,9H,3-4H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole?
3-(azetidin-3-yl)-5-iodo-1-methylpyrazole has a molecular weight of 263.08 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-iodo-1-methylpyrazole is sourced from PubChem (CID 90286680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).