5-(fluoromethylsulfinyl)-1H-pyrazole

C4H5FN2OS — CID 140969027

IUPAC5-(fluoromethylsulfinyl)-1H-pyrazole
SMILESO=S(CF)c1ccn[nH]1
InChIInChI=1S/C4H5FN2OS/c5-3-9(8)4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyZEAPAIGFQPBBRB-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.44
Rot. Bonds2

About 5-(fluoromethylsulfinyl)-1H-pyrazole

5-(fluoromethylsulfinyl)-1H-pyrazole (PubChem CID 140969027) has the molecular formula C4H5FN2OS and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-(fluoromethylsulfinyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(fluoromethylsulfinyl)-1H-pyrazole
PubChem CID140969027
Molecular FormulaC4H5FN2OS
Molecular Weight148.16 g/mol
Exact Mass148.01
IUPAC Name5-(fluoromethylsulfinyl)-1H-pyrazole
SMILESO=S(CF)c1ccn[nH]1
InChIInChI=1S/C4H5FN2OS/c5-3-9(8)4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyZEAPAIGFQPBBRB-UHFFFAOYSA-N
XLogP0.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethylsulfinyl)-1H-pyrazole?
The IUPAC name of 5-(fluoromethylsulfinyl)-1H-pyrazole (CID 140969027) is 5-(fluoromethylsulfinyl)-1H-pyrazole.
What is the SMILES notation for 5-(fluoromethylsulfinyl)-1H-pyrazole?
The canonical SMILES for 5-(fluoromethylsulfinyl)-1H-pyrazole is O=S(CF)c1ccn[nH]1.
What is the InChIKey of 5-(fluoromethylsulfinyl)-1H-pyrazole?
The InChIKey is ZEAPAIGFQPBBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2OS/c5-3-9(8)4-1-2-6-7-4/h1-2H,3H2,(H,6,7).
What are the key properties of 5-(fluoromethylsulfinyl)-1H-pyrazole?
5-(fluoromethylsulfinyl)-1H-pyrazole has a molecular weight of 148.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethylsulfinyl)-1H-pyrazole is sourced from PubChem (CID 140969027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).