1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid

C8H8N4O4S — CID 25248117

IUPAC1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid
SMILESCn1cc(S(=O)(=O)n2ccc(C(=O)O)n2)cn1
InChIInChI=1S/C8H8N4O4S/c1-11-5-6(4-9-11)17(15,16)12-3-2-7(10-12)8(13)14/h2-5H,1H3,(H,13,14)
InChIKeyWHJKBJNKJYZUCL-UHFFFAOYSA-N
MW256.24 g/mol
LogP-0.45
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid

1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid (PubChem CID 25248117) has the molecular formula C8H8N4O4S and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid
PubChem CID25248117
Molecular FormulaC8H8N4O4S
Molecular Weight256.24 g/mol
Exact Mass256.03
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid
SMILESCn1cc(S(=O)(=O)n2ccc(C(=O)O)n2)cn1
InChIInChI=1S/C8H8N4O4S/c1-11-5-6(4-9-11)17(15,16)12-3-2-7(10-12)8(13)14/h2-5H,1H3,(H,13,14)
InChIKeyWHJKBJNKJYZUCL-UHFFFAOYSA-N
XLogP-0.45
TPSA107.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 155235025
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid
CID 71564627
6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053952
[1-[(4-bromopyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19472531
[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19478252
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]triazole-4-carboxylic acid
CID 146134344
5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole
CID 19588930
2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485690
1-methylpyrazole-4-sulfonyl bromide
CID 130493718
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid (CID 25248117) is 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid is Cn1cc(S(=O)(=O)n2ccc(C(=O)O)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid?
The InChIKey is WHJKBJNKJYZUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4S/c1-11-5-6(4-9-11)17(15,16)12-3-2-7(10-12)8(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid?
1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid is sourced from PubChem (CID 25248117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).