5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C8H8N4O5S — CID 54933926

IUPAC5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2[nH]ncc2C(=O)O)on1
InChIInChI=1S/C8H8N4O5S/c1-4-2-6(17-11-4)12-18(15,16)7-5(8(13)14)3-9-10-7/h2-3,12H,1H3,(H,9,10)(H,13,14)
InChIKeyUTXFXQFKWHCNEE-UHFFFAOYSA-N
MW272.24 g/mol
LogP0.21
Rot. Bonds4

About 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 54933926) has the molecular formula C8H8N4O5S and a molecular weight of 272.24 g/mol. Its IUPAC name is 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID54933926
Molecular FormulaC8H8N4O5S
Molecular Weight272.24 g/mol
Exact Mass272.02
IUPAC Name5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2[nH]ncc2C(=O)O)on1
InChIInChI=1S/C8H8N4O5S/c1-4-2-6(17-11-4)12-18(15,16)7-5(8(13)14)3-9-10-7/h2-3,12H,1H3,(H,9,10)(H,13,14)
InChIKeyUTXFXQFKWHCNEE-UHFFFAOYSA-N
XLogP0.21
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 54933926) is 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is Cc1cc(NS(=O)(=O)c2[nH]ncc2C(=O)O)on1.
What is the InChIKey of 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is UTXFXQFKWHCNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O5S/c1-4-2-6(17-11-4)12-18(15,16)7-5(8(13)14)3-9-10-7/h2-3,12H,1H3,(H,9,10)(H,13,14).
What are the key properties of 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54933926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).