1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole

C6H7F3N2S — CID 118466350

IUPAC1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole
SMILESCc1cc(SC(F)(F)F)nn1C
InChIInChI=1S/C6H7F3N2S/c1-4-3-5(10-11(4)2)12-6(7,8)9/h3H,1-2H3
InChIKeyMPEUGFAFMYZUGC-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.34
Rot. Bonds1

About 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole

1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole (PubChem CID 118466350) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole
PubChem CID118466350
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole
SMILESCc1cc(SC(F)(F)F)nn1C
InChIInChI=1S/C6H7F3N2S/c1-4-3-5(10-11(4)2)12-6(7,8)9/h3H,1-2H3
InChIKeyMPEUGFAFMYZUGC-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole?
The IUPAC name of 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole (CID 118466350) is 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole is Cc1cc(SC(F)(F)F)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole?
The InChIKey is MPEUGFAFMYZUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-4-3-5(10-11(4)2)12-6(7,8)9/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole?
1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole has a molecular weight of 196.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(trifluoromethylsulfanyl)pyrazole is sourced from PubChem (CID 118466350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).