4-iodo-3,5-dimethoxy-1-methylpyrazole

C6H9IN2O2 — CID 10015835

IUPAC4-iodo-3,5-dimethoxy-1-methylpyrazole
SMILESCOc1nn(C)c(OC)c1I
InChIInChI=1S/C6H9IN2O2/c1-9-6(11-3)4(7)5(8-9)10-2/h1-3H3
InChIKeySBTVECPETSKQOT-UHFFFAOYSA-N
MW268.05 g/mol
LogP1.04
Rot. Bonds2

About 4-iodo-3,5-dimethoxy-1-methylpyrazole

4-iodo-3,5-dimethoxy-1-methylpyrazole (PubChem CID 10015835) has the molecular formula C6H9IN2O2 and a molecular weight of 268.05 g/mol. Its IUPAC name is 4-iodo-3,5-dimethoxy-1-methylpyrazole.

Molecular Properties

Compound Name4-iodo-3,5-dimethoxy-1-methylpyrazole
PubChem CID10015835
Molecular FormulaC6H9IN2O2
Molecular Weight268.05 g/mol
Exact Mass267.97
IUPAC Name4-iodo-3,5-dimethoxy-1-methylpyrazole
SMILESCOc1nn(C)c(OC)c1I
InChIInChI=1S/C6H9IN2O2/c1-9-6(11-3)4(7)5(8-9)10-2/h1-3H3
InChIKeySBTVECPETSKQOT-UHFFFAOYSA-N
XLogP1.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-iodo-3,5-dimethoxy-1-methylpyrazole?
The IUPAC name of 4-iodo-3,5-dimethoxy-1-methylpyrazole (CID 10015835) is 4-iodo-3,5-dimethoxy-1-methylpyrazole.
What is the SMILES notation for 4-iodo-3,5-dimethoxy-1-methylpyrazole?
The canonical SMILES for 4-iodo-3,5-dimethoxy-1-methylpyrazole is COc1nn(C)c(OC)c1I.
What is the InChIKey of 4-iodo-3,5-dimethoxy-1-methylpyrazole?
The InChIKey is SBTVECPETSKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O2/c1-9-6(11-3)4(7)5(8-9)10-2/h1-3H3.
What are the key properties of 4-iodo-3,5-dimethoxy-1-methylpyrazole?
4-iodo-3,5-dimethoxy-1-methylpyrazole has a molecular weight of 268.05 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethoxy-1-methylpyrazole is sourced from PubChem (CID 10015835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).