5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C7H6N4O5S — CID 62904001

IUPAC5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C7H6N4O5S/c12-7(13)4-3-8-9-6(4)17(14,15)11-5-1-2-16-10-5/h1-3H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyIYJNBTHSJKFNLR-UHFFFAOYSA-N
MW258.21 g/mol
LogP-0.10
Rot. Bonds4

About 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 62904001) has the molecular formula C7H6N4O5S and a molecular weight of 258.21 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID62904001
Molecular FormulaC7H6N4O5S
Molecular Weight258.21 g/mol
Exact Mass258.01
IUPAC Name5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C7H6N4O5S/c12-7(13)4-3-8-9-6(4)17(14,15)11-5-1-2-16-10-5/h1-3H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyIYJNBTHSJKFNLR-UHFFFAOYSA-N
XLogP-0.10
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934269
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
CID 102931209
5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933926
5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 66351046
5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015
5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79734110
N-(1,2-oxazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 62904646
5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61075738
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107787367

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 62904001) is 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccon1.
What is the InChIKey of 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is IYJNBTHSJKFNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O5S/c12-7(13)4-3-8-9-6(4)17(14,15)11-5-1-2-16-10-5/h1-3H,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 258.21 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62904001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).