5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C10H11N3O5S — CID 104617466

IUPAC5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1
InChIInChI=1S/C10H11N3O5S/c1-2-6-5-8(12-11-6)13-19(16,17)9-4-3-7(18-9)10(14)15/h3-5H,2H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyJUMNKWZGBWXFFY-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.06
Rot. Bonds5

About 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104617466) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104617466
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1
InChIInChI=1S/C10H11N3O5S/c1-2-6-5-8(12-11-6)13-19(16,17)9-4-3-7(18-9)10(14)15/h3-5H,2H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyJUMNKWZGBWXFFY-UHFFFAOYSA-N
XLogP1.06
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126766267
Methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate
CID 75510600
4-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 137980203
5-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 43149856
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 43547662
5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 54896799
5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 61283530
5-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
CID 61393774
5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid
CID 62040684
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803443
4-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803608
5-methyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-2-carboxylic acid
CID 62804871

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 104617466) is 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is CCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1.
What is the InChIKey of 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is JUMNKWZGBWXFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-2-6-5-8(12-11-6)13-19(16,17)9-4-3-7(18-9)10(14)15/h3-5H,2H2,1H3,(H,14,15)(H2,11,12,13).
What are the key properties of 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104617466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).