5-(difluoromethoxy)-4-iodo-1-methylpyrazole

C5H5F2IN2O — CID 141420732

IUPAC5-(difluoromethoxy)-4-iodo-1-methylpyrazole
SMILESCn1ncc(I)c1OC(F)F
InChIInChI=1S/C5H5F2IN2O/c1-10-4(11-5(6)7)3(8)2-9-10/h2,5H,1H3
InChIKeyKWFZQDIVIHIJOD-UHFFFAOYSA-N
MW274.01 g/mol
LogP1.63
Rot. Bonds2

About 5-(difluoromethoxy)-4-iodo-1-methylpyrazole

5-(difluoromethoxy)-4-iodo-1-methylpyrazole (PubChem CID 141420732) has the molecular formula C5H5F2IN2O and a molecular weight of 274.01 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-iodo-1-methylpyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-iodo-1-methylpyrazole
PubChem CID141420732
Molecular FormulaC5H5F2IN2O
Molecular Weight274.01 g/mol
Exact Mass273.94
IUPAC Name5-(difluoromethoxy)-4-iodo-1-methylpyrazole
SMILESCn1ncc(I)c1OC(F)F
InChIInChI=1S/C5H5F2IN2O/c1-10-4(11-5(6)7)3(8)2-9-10/h2,5H,1H3
InChIKeyKWFZQDIVIHIJOD-UHFFFAOYSA-N
XLogP1.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 12100054
4-Bromo-5-methoxy-1-methyl-1H-pyrazole
CID 13131235
4-bromo-3-methoxy-1-methyl-1H-pyrazole
CID 67003909
4-Iodo-3-methoxy-1-methyl-1H-pyrazole
CID 134540668
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
4-Chloro-5-(difluoromethoxy)-1-methylpyrazole
CID 17909875
3-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 19424663
3-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 59340904
3-(Fluoromethoxy)-1-methylpyrazole
CID 70195105
[4-Iodo-1-(trifluoromethyl)pyrazol-5-yl] formate
CID 90310423
5-(Difluoromethoxy)-1-methylpyrazole
CID 90773700
5-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 91531384

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-iodo-1-methylpyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-iodo-1-methylpyrazole (CID 141420732) is 5-(difluoromethoxy)-4-iodo-1-methylpyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-iodo-1-methylpyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-iodo-1-methylpyrazole is Cn1ncc(I)c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-iodo-1-methylpyrazole?
The InChIKey is KWFZQDIVIHIJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2IN2O/c1-10-4(11-5(6)7)3(8)2-9-10/h2,5H,1H3.
What are the key properties of 5-(difluoromethoxy)-4-iodo-1-methylpyrazole?
5-(difluoromethoxy)-4-iodo-1-methylpyrazole has a molecular weight of 274.01 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-iodo-1-methylpyrazole is sourced from PubChem (CID 141420732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).