4-iodo-5-methoxy-1H-pyrazole

C4H5IN2O — CID 67004784

IUPAC4-iodo-5-methoxy-1H-pyrazole
SMILESCOc1[nH]ncc1I
InChIInChI=1S/C4H5IN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7)
InChIKeyAKAILQXICKUNET-UHFFFAOYSA-N
MW224.00 g/mol
LogP1.02
Rot. Bonds1

About 4-iodo-5-methoxy-1H-pyrazole

4-iodo-5-methoxy-1H-pyrazole (PubChem CID 67004784) has the molecular formula C4H5IN2O and a molecular weight of 224.00 g/mol. Its IUPAC name is 4-iodo-5-methoxy-1H-pyrazole.

Molecular Properties

Compound Name4-iodo-5-methoxy-1H-pyrazole
PubChem CID67004784
Molecular FormulaC4H5IN2O
Molecular Weight224.00 g/mol
Exact Mass223.94
IUPAC Name4-iodo-5-methoxy-1H-pyrazole
SMILESCOc1[nH]ncc1I
InChIInChI=1S/C4H5IN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7)
InChIKeyAKAILQXICKUNET-UHFFFAOYSA-N
XLogP1.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1H-pyrazole
CID 17852300
3-methoxy-4-methyl-1H-pyrazole
CID 17852315
4-bromo-5-methoxy-1H-pyrazole
CID 67388385
3-Ethoxy-4-iodo-1h-pyrazole
CID 44629030
5-(fluoromethoxy)-1H-pyrazole
CID 68298048
5-methoxy-4-(trifluoromethyl)-1H-pyrazole
CID 90713520
5-ethoxy-4-fluoro-1H-pyrazole
CID 91604421
4-Fluoro-3-methoxy-1H-pyrazole
CID 154089213
5-(difluoromethoxy)-4-fluoro-1H-pyrazole
CID 159770957
5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole
CID 170564789
5-(difluoromethoxy)-4-iodo-1H-pyrazole
CID 171842640
5-(difluoromethoxy)-4-methyl-1H-pyrazole
CID 173141488

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methoxy-1H-pyrazole?
The IUPAC name of 4-iodo-5-methoxy-1H-pyrazole (CID 67004784) is 4-iodo-5-methoxy-1H-pyrazole.
What is the SMILES notation for 4-iodo-5-methoxy-1H-pyrazole?
The canonical SMILES for 4-iodo-5-methoxy-1H-pyrazole is COc1[nH]ncc1I.
What is the InChIKey of 4-iodo-5-methoxy-1H-pyrazole?
The InChIKey is AKAILQXICKUNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7).
What are the key properties of 4-iodo-5-methoxy-1H-pyrazole?
4-iodo-5-methoxy-1H-pyrazole has a molecular weight of 224.00 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methoxy-1H-pyrazole is sourced from PubChem (CID 67004784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).