5-(difluoromethoxy)-4-iodo-1H-pyrazole

C4H3F2IN2O — CID 171842640

IUPAC5-(difluoromethoxy)-4-iodo-1H-pyrazole
SMILESFC(F)Oc1[nH]ncc1I
InChIInChI=1S/C4H3F2IN2O/c5-4(6)10-3-2(7)1-8-9-3/h1,4H,(H,8,9)
InChIKeyWYWCALAJJQZWIJ-UHFFFAOYSA-N
MW259.98 g/mol
LogP1.62
Rot. Bonds2

About 5-(difluoromethoxy)-4-iodo-1H-pyrazole

5-(difluoromethoxy)-4-iodo-1H-pyrazole (PubChem CID 171842640) has the molecular formula C4H3F2IN2O and a molecular weight of 259.98 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-iodo-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-iodo-1H-pyrazole
PubChem CID171842640
Molecular FormulaC4H3F2IN2O
Molecular Weight259.98 g/mol
Exact Mass259.93
IUPAC Name5-(difluoromethoxy)-4-iodo-1H-pyrazole
SMILESFC(F)Oc1[nH]ncc1I
InChIInChI=1S/C4H3F2IN2O/c5-4(6)10-3-2(7)1-8-9-3/h1,4H,(H,8,9)
InChIKeyWYWCALAJJQZWIJ-UHFFFAOYSA-N
XLogP1.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.98
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-iodo-1H-pyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-iodo-1H-pyrazole (CID 171842640) is 5-(difluoromethoxy)-4-iodo-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-iodo-1H-pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-iodo-1H-pyrazole is FC(F)Oc1[nH]ncc1I.
What is the InChIKey of 5-(difluoromethoxy)-4-iodo-1H-pyrazole?
The InChIKey is WYWCALAJJQZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2IN2O/c5-4(6)10-3-2(7)1-8-9-3/h1,4H,(H,8,9).
What are the key properties of 5-(difluoromethoxy)-4-iodo-1H-pyrazole?
5-(difluoromethoxy)-4-iodo-1H-pyrazole has a molecular weight of 259.98 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-iodo-1H-pyrazole is sourced from PubChem (CID 171842640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).