5-(trifluoromethylsulfinyl)-1H-pyrazole

C4H3F3N2OS — CID 54022128

IUPAC5-(trifluoromethylsulfinyl)-1H-pyrazole
SMILESO=S(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)11(10)3-1-2-8-9-3/h1-2H,(H,8,9)
InChIKeyKZQWZYPBBOXTHG-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.04
Rot. Bonds1

About 5-(trifluoromethylsulfinyl)-1H-pyrazole

5-(trifluoromethylsulfinyl)-1H-pyrazole (PubChem CID 54022128) has the molecular formula C4H3F3N2OS and a molecular weight of 184.14 g/mol. Its IUPAC name is 5-(trifluoromethylsulfinyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(trifluoromethylsulfinyl)-1H-pyrazole
PubChem CID54022128
Molecular FormulaC4H3F3N2OS
Molecular Weight184.14 g/mol
Exact Mass183.99
IUPAC Name5-(trifluoromethylsulfinyl)-1H-pyrazole
SMILESO=S(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)11(10)3-1-2-8-9-3/h1-2H,(H,8,9)
InChIKeyKZQWZYPBBOXTHG-UHFFFAOYSA-N
XLogP1.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfinyl)-1H-pyrazole?
The IUPAC name of 5-(trifluoromethylsulfinyl)-1H-pyrazole (CID 54022128) is 5-(trifluoromethylsulfinyl)-1H-pyrazole.
What is the SMILES notation for 5-(trifluoromethylsulfinyl)-1H-pyrazole?
The canonical SMILES for 5-(trifluoromethylsulfinyl)-1H-pyrazole is O=S(c1ccn[nH]1)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethylsulfinyl)-1H-pyrazole?
The InChIKey is KZQWZYPBBOXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2OS/c5-4(6,7)11(10)3-1-2-8-9-3/h1-2H,(H,8,9).
What are the key properties of 5-(trifluoromethylsulfinyl)-1H-pyrazole?
5-(trifluoromethylsulfinyl)-1H-pyrazole has a molecular weight of 184.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfinyl)-1H-pyrazole is sourced from PubChem (CID 54022128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).