1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid

C10H10N4O4S — CID 3075391

IUPAC1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(S(=O)(=O)Nc2cccnc2)n1
InChIInChI=1S/C10H10N4O4S/c1-14-6-8(10(15)16)9(12-14)19(17,18)13-7-3-2-4-11-5-7/h2-6,13H,1H3,(H,15,16)
InChIKeyVGNDHTFPMYXQBV-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.31
Rot. Bonds4

About 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid

1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid (PubChem CID 3075391) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid
PubChem CID3075391
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(S(=O)(=O)Nc2cccnc2)n1
InChIInChI=1S/C10H10N4O4S/c1-14-6-8(10(15)16)9(12-14)19(17,18)13-7-3-2-4-11-5-7/h2-6,13H,1H3,(H,15,16)
InChIKeyVGNDHTFPMYXQBV-UHFFFAOYSA-N
XLogP0.31
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid (CID 3075391) is 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(S(=O)(=O)Nc2cccnc2)n1.
What is the InChIKey of 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid?
The InChIKey is VGNDHTFPMYXQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-14-6-8(10(15)16)9(12-14)19(17,18)13-7-3-2-4-11-5-7/h2-6,13H,1H3,(H,15,16).
What are the key properties of 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid?
1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 3075391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).