4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid

C10H10N2O4S2 — CID 12873239

IUPAC4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCc1cc(C)n(S(=O)(=O)c2csc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N2O4S2/c1-6-3-7(2)12(11-6)18(15,16)8-4-9(10(13)14)17-5-8/h3-5H,1-2H3,(H,13,14)
InChIKeyRZVNPLTWDWAZRX-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.50
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid

4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 12873239) has the molecular formula C10H10N2O4S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID12873239
Molecular FormulaC10H10N2O4S2
Molecular Weight286.33 g/mol
Exact Mass286.01
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCc1cc(C)n(S(=O)(=O)c2csc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N2O4S2/c1-6-3-7(2)12(11-6)18(15,16)8-4-9(10(13)14)17-5-8/h3-5H,1-2H3,(H,13,14)
InChIKeyRZVNPLTWDWAZRX-UHFFFAOYSA-N
XLogP1.50
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid (CID 12873239) is 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid is Cc1cc(C)n(S(=O)(=O)c2csc(C(=O)O)c2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is RZVNPLTWDWAZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S2/c1-6-3-7(2)12(11-6)18(15,16)8-4-9(10(13)14)17-5-8/h3-5H,1-2H3,(H,13,14).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid?
4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 12873239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).