4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole

C6H9BrN2S — CID 130843156

IUPAC4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole
SMILESCSCc1nn(C)cc1Br
InChIInChI=1S/C6H9BrN2S/c1-9-3-5(7)6(8-9)4-10-2/h3H,4H2,1-2H3
InChIKeyGPMSARWYWMHCDF-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.05
Rot. Bonds2

About 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole

4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole (PubChem CID 130843156) has the molecular formula C6H9BrN2S and a molecular weight of 221.12 g/mol. Its IUPAC name is 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole
PubChem CID130843156
Molecular FormulaC6H9BrN2S
Molecular Weight221.12 g/mol
Exact Mass219.97
IUPAC Name4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole
SMILESCSCc1nn(C)cc1Br
InChIInChI=1S/C6H9BrN2S/c1-9-3-5(7)6(8-9)4-10-2/h3H,4H2,1-2H3
InChIKeyGPMSARWYWMHCDF-UHFFFAOYSA-N
XLogP2.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12615416
4-Bromo-1,5-dimethyl-1H-pyrazole
CID 12615417
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2794651
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 4773286
4-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 4105398
(4-bromo-1-methyl-1H-pyrazol-3-yl)methanamine
CID 19620698
4-bromo-1-ethyl-5-methyl-1H-pyrazole
CID 25219331
4-Bromo-1-methyl-1H-pyrazole-3-carbonitrile
CID 45594322
4-Bromo-1-(difluoromethyl)-3-methyl-1H-pyrazole
CID 46318312
4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrazole
CID 51000270
4-Bromo-1-cyclopropyl-5-methyl-1H-pyrazole
CID 83381545
4-bromo-1-isopropyl-5-methyl-1H-pyrazole
CID 83381547

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole?
The IUPAC name of 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole (CID 130843156) is 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole?
The canonical SMILES for 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole is CSCc1nn(C)cc1Br.
What is the InChIKey of 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole?
The InChIKey is GPMSARWYWMHCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2S/c1-9-3-5(7)6(8-9)4-10-2/h3H,4H2,1-2H3.
What are the key properties of 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole?
4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole has a molecular weight of 221.12 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-3-(methylsulfanylmethyl)pyrazole is sourced from PubChem (CID 130843156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).