4-bromo-1,5-dimethylpyrazole-3-sulfonamide

C5H8BrN3O2S — CID 139626205

IUPAC4-bromo-1,5-dimethylpyrazole-3-sulfonamide
SMILESCc1c(Br)c(S(N)(=O)=O)nn1C
InChIInChI=1S/C5H8BrN3O2S/c1-3-4(6)5(8-9(3)2)12(7,10)11/h1-2H3,(H2,7,10,11)
InChIKeyVCMBZHZCCGYTOC-UHFFFAOYSA-N
MW254.11 g/mol
LogP0.14
Rot. Bonds1

About 4-bromo-1,5-dimethylpyrazole-3-sulfonamide

4-bromo-1,5-dimethylpyrazole-3-sulfonamide (PubChem CID 139626205) has the molecular formula C5H8BrN3O2S and a molecular weight of 254.11 g/mol. Its IUPAC name is 4-bromo-1,5-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethylpyrazole-3-sulfonamide
PubChem CID139626205
Molecular FormulaC5H8BrN3O2S
Molecular Weight254.11 g/mol
Exact Mass252.95
IUPAC Name4-bromo-1,5-dimethylpyrazole-3-sulfonamide
SMILESCc1c(Br)c(S(N)(=O)=O)nn1C
InChIInChI=1S/C5H8BrN3O2S/c1-3-4(6)5(8-9(3)2)12(7,10)11/h1-2H3,(H2,7,10,11)
InChIKeyVCMBZHZCCGYTOC-UHFFFAOYSA-N
XLogP0.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate
CID 13342775
2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
CID 130668312
4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole
CID 22200710
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
1,5-dimethylpyrazole-4-sulfonamide
CID 13342781
4-amino-1-methylpyrazole-3-sulfonamide
CID 122673402
1-(4-bromo-1,5-dimethylpyrazol-3-yl)prop-2-en-1-one
CID 155123854
4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
CID 83746918
3-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,3-disulfonamide
CID 18292001
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 82900100
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethylpyrazole-3-sulfonamide?
The IUPAC name of 4-bromo-1,5-dimethylpyrazole-3-sulfonamide (CID 139626205) is 4-bromo-1,5-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for 4-bromo-1,5-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for 4-bromo-1,5-dimethylpyrazole-3-sulfonamide is Cc1c(Br)c(S(N)(=O)=O)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethylpyrazole-3-sulfonamide?
The InChIKey is VCMBZHZCCGYTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3O2S/c1-3-4(6)5(8-9(3)2)12(7,10)11/h1-2H3,(H2,7,10,11).
What are the key properties of 4-bromo-1,5-dimethylpyrazole-3-sulfonamide?
4-bromo-1,5-dimethylpyrazole-3-sulfonamide has a molecular weight of 254.11 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 139626205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).