4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole

C5H5F3N2S — CID 162568372

IUPAC4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCSc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2S/c1-11-3-2-9-10-4(3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyUDPHBQMXUCEDLN-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.15
Rot. Bonds1

About 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole

4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 162568372) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID162568372
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCSc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2S/c1-11-3-2-9-10-4(3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyUDPHBQMXUCEDLN-UHFFFAOYSA-N
XLogP2.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole (CID 162568372) is 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole is CSc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is UDPHBQMXUCEDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c1-11-3-2-9-10-4(3)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole?
4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 182.17 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 162568372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).