5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole

C5H5F3N2S — CID 141198807

IUPAC5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole
SMILESCc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C5H5F3N2S/c1-3-4(2-9-10-3)11-5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyFQDWTLVZCGLINM-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.33
Rot. Bonds1

About 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole

5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole (PubChem CID 141198807) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole
PubChem CID141198807
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole
SMILESCc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C5H5F3N2S/c1-3-4(2-9-10-3)11-5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyFQDWTLVZCGLINM-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(trifluoromethylsulfinyl)-1H-pyrazole-5-carbonitrile
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4-(2-methylprop-2-enylsulfanyl)-5-(trifluoromethyl)-1H-pyrazole
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4-(2-methylpropylsulfanyl)-5-(trifluoromethyl)-1H-pyrazole
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4-pentylsulfanyl-5-(trifluoromethyl)-1H-pyrazole
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4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole
CID 123206496
3-(trifluoromethyl)-1H-pyrazole-4-thiol
CID 123654589
4-methylsulfonyl-5-(trifluoromethyl)-1H-pyrazole
CID 131124167
4-(fluoromethylsulfinyl)-1H-pyrazole-5-carbonitrile
CID 140986075
4-(trifluoromethylsulfanyl)-1H-pyrazole-5-carbonitrile
CID 141024144
4-(trifluoromethylsulfanyl)-1H-pyrazole-5-carbothioamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The IUPAC name of 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole (CID 141198807) is 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole is Cc1[nH]ncc1SC(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The InChIKey is FQDWTLVZCGLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c1-3-4(2-9-10-3)11-5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole has a molecular weight of 182.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole is sourced from PubChem (CID 141198807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).