5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid

C9H9N3O5S — CID 62804871

IUPAC5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H9N3O5S/c1-5-7(4-6(17-5)9(13)14)18(15,16)12-8-2-3-10-11-8/h2-4H,1H3,(H,13,14)(H2,10,11,12)
InChIKeyYMZDMYSBXRUPLA-UHFFFAOYSA-N
MW271.25 g/mol
LogP0.81
Rot. Bonds4

About 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62804871) has the molecular formula C9H9N3O5S and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID62804871
Molecular FormulaC9H9N3O5S
Molecular Weight271.25 g/mol
Exact Mass271.03
IUPAC Name5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H9N3O5S/c1-5-7(4-6(17-5)9(13)14)18(15,16)12-8-2-3-10-11-8/h2-4H,1H3,(H,13,14)(H2,10,11,12)
InChIKeyYMZDMYSBXRUPLA-UHFFFAOYSA-N
XLogP0.81
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid (CID 62804871) is 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccn[nH]1.
What is the InChIKey of 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is YMZDMYSBXRUPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5S/c1-5-7(4-6(17-5)9(13)14)18(15,16)12-8-2-3-10-11-8/h2-4H,1H3,(H,13,14)(H2,10,11,12).
What are the key properties of 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62804871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).