3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid

C7H11N3O6S2 — CID 64526719

IUPAC3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C7H11N3O6S2/c1-17(13,14)2-3-18(15,16)10-6-4-5(7(11)12)8-9-6/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyYXGGJFMGPJPKKM-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.11
Rot. Bonds6

About 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid

3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64526719) has the molecular formula C7H11N3O6S2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64526719
Molecular FormulaC7H11N3O6S2
Molecular Weight297.31 g/mol
Exact Mass297.01
IUPAC Name3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C7H11N3O6S2/c1-17(13,14)2-3-18(15,16)10-6-4-5(7(11)12)8-9-6/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyYXGGJFMGPJPKKM-UHFFFAOYSA-N
XLogP-1.11
TPSA146.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid (CID 64526719) is 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid is CS(=O)(=O)CCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is YXGGJFMGPJPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O6S2/c1-17(13,14)2-3-18(15,16)10-6-4-5(7(11)12)8-9-6/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethylsulfonylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).