3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid

C5H6ClN3O4S — CID 15007571

IUPAC3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid
SMILESCn1nc(Cl)c(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)
InChIKeySYTAYDKFVRSSRR-UHFFFAOYSA-N
MW239.64 g/mol
LogP-0.58
Rot. Bonds2

About 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid

3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid (PubChem CID 15007571) has the molecular formula C5H6ClN3O4S and a molecular weight of 239.64 g/mol. Its IUPAC name is 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid
PubChem CID15007571
Molecular FormulaC5H6ClN3O4S
Molecular Weight239.64 g/mol
Exact Mass238.98
IUPAC Name3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid
SMILESCn1nc(Cl)c(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)
InChIKeySYTAYDKFVRSSRR-UHFFFAOYSA-N
XLogP-0.58
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid?
The IUPAC name of 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid (CID 15007571) is 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid is Cn1nc(Cl)c(C(=O)O)c1S(N)(=O)=O.
What is the InChIKey of 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid?
The InChIKey is SYTAYDKFVRSSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13).
What are the key properties of 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid?
3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid has a molecular weight of 239.64 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylic acid is sourced from PubChem (CID 15007571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).