5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid

C8H9BrN6O4S — CID 106465673

IUPAC5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H9BrN6O4S/c1-14-6(4(3-10-14)8(16)17)12-20(18,19)7-5(9)11-13-15(7)2/h3,12H,1-2H3,(H,16,17)
InChIKeyJZHCSZDHDHAJKD-UHFFFAOYSA-N
MW365.17 g/mol
LogP-0.19
Rot. Bonds4

About 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid

5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid (PubChem CID 106465673) has the molecular formula C8H9BrN6O4S and a molecular weight of 365.17 g/mol. Its IUPAC name is 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
PubChem CID106465673
Molecular FormulaC8H9BrN6O4S
Molecular Weight365.17 g/mol
Exact Mass363.96
IUPAC Name5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H9BrN6O4S/c1-14-6(4(3-10-14)8(16)17)12-20(18,19)7-5(9)11-13-15(7)2/h3,12H,1-2H3,(H,16,17)
InChIKeyJZHCSZDHDHAJKD-UHFFFAOYSA-N
XLogP-0.19
TPSA132.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-bromo-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]benzoic acid
CID 106465739
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
CID 28784434
5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-3-hydroxybenzoic acid
CID 106465733
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 106467555
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 106465632
5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466748
5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide
CID 103354457

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid (CID 106465673) is 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1NS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is JZHCSZDHDHAJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6O4S/c1-14-6(4(3-10-14)8(16)17)12-20(18,19)7-5(9)11-13-15(7)2/h3,12H,1-2H3,(H,16,17).
What are the key properties of 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 365.17 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 106465673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).