5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C8H8N4O5S — CID 106415229

IUPAC5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C8H8N4O5S/c13-8(14)6-4-9-12-7(6)18(15,16)11-3-5-1-2-10-17-5/h1-2,4,11H,3H2,(H,9,12)(H,13,14)
InChIKeyWTOZJUIBUVBQDY-UHFFFAOYSA-N
MW272.24 g/mol
LogP-0.43
Rot. Bonds5

About 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 106415229) has the molecular formula C8H8N4O5S and a molecular weight of 272.24 g/mol. Its IUPAC name is 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID106415229
Molecular FormulaC8H8N4O5S
Molecular Weight272.24 g/mol
Exact Mass272.02
IUPAC Name5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C8H8N4O5S/c13-8(14)6-4-9-12-7(6)18(15,16)11-3-5-1-2-10-17-5/h1-2,4,11H,3H2,(H,9,12)(H,13,14)
InChIKeyWTOZJUIBUVBQDY-UHFFFAOYSA-N
XLogP-0.43
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257
5-[(4-cyanophenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60917739
5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106415108
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
CID 104600364
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 106415229) is 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is WTOZJUIBUVBQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O5S/c13-8(14)6-4-9-12-7(6)18(15,16)11-3-5-1-2-10-17-5/h1-2,4,11H,3H2,(H,9,12)(H,13,14).
What are the key properties of 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106415229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).