5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C12H15N3O5S — CID 104617514

IUPAC5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C12H15N3O5S/c1-6(2)8-4-11(14-13-8)15-21(18,19)10-5-9(12(16)17)20-7(10)3/h4-6H,1-3H3,(H,16,17)(H2,13,14,15)
InChIKeyVCHCVEZBZSOREK-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.93
Rot. Bonds5

About 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104617514) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104617514
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C12H15N3O5S/c1-6(2)8-4-11(14-13-8)15-21(18,19)10-5-9(12(16)17)20-7(10)3/h4-6H,1-3H3,(H,16,17)(H2,13,14,15)
InChIKeyVCHCVEZBZSOREK-UHFFFAOYSA-N
XLogP1.93
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 104617514) is 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is VCHCVEZBZSOREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-6(2)8-4-11(14-13-8)15-21(18,19)10-5-9(12(16)17)20-7(10)3/h4-6H,1-3H3,(H,16,17)(H2,13,14,15).
What are the key properties of 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104617514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).