5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

C12H15N3O5S — CID 62902663

IUPAC5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H15N3O5S/c1-7(2)15-6-9(5-13-15)14-21(18,19)11-4-10(12(16)17)20-8(11)3/h4-7,14H,1-3H3,(H,16,17)
InChIKeySLTBMBQFGHCITQ-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.86
Rot. Bonds5

About 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62902663) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62902663
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H15N3O5S/c1-7(2)15-6-9(5-13-15)14-21(18,19)11-4-10(12(16)17)20-8(11)3/h4-7,14H,1-3H3,(H,16,17)
InChIKeySLTBMBQFGHCITQ-UHFFFAOYSA-N
XLogP1.86
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 62902663) is 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is SLTBMBQFGHCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-7(2)15-6-9(5-13-15)14-21(18,19)11-4-10(12(16)17)20-8(11)3/h4-7,14H,1-3H3,(H,16,17).
What are the key properties of 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62902663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).