4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole

C8H10BrF3N2S — CID 116617220

IUPAC4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole
SMILESCc1nn(CCSC(F)(F)F)c(C)c1Br
InChIInChI=1S/C8H10BrF3N2S/c1-5-7(9)6(2)14(13-5)3-4-15-8(10,11)12/h3-4H2,1-2H3
InChIKeyLNVMDRIUJFXLRQ-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.52
Rot. Bonds3

About 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole

4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole (PubChem CID 116617220) has the molecular formula C8H10BrF3N2S and a molecular weight of 303.15 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole
PubChem CID116617220
Molecular FormulaC8H10BrF3N2S
Molecular Weight303.15 g/mol
Exact Mass301.97
IUPAC Name4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole
SMILESCc1nn(CCSC(F)(F)F)c(C)c1Br
InChIInChI=1S/C8H10BrF3N2S/c1-5-7(9)6(2)14(13-5)3-4-15-8(10,11)12/h3-4H2,1-2H3
InChIKeyLNVMDRIUJFXLRQ-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Bromo-3,5-dimethyl-1-(1-methylethyl)-1H-pyrazole
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4-bromo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
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CID 2778433
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 1740874
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
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4-bromo-3-(difluoromethyl)-1,5-dimethyl-1H-pyrazole
CID 125724599
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole?
The IUPAC name of 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole (CID 116617220) is 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole.
What is the SMILES notation for 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole?
The canonical SMILES for 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole is Cc1nn(CCSC(F)(F)F)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole?
The InChIKey is LNVMDRIUJFXLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2S/c1-5-7(9)6(2)14(13-5)3-4-15-8(10,11)12/h3-4H2,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole?
4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole has a molecular weight of 303.15 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole is sourced from PubChem (CID 116617220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).