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

C12H15N3O5S — CID 62040684

IUPAC5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid
SMILESCc1[nH]ncc1CCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H15N3O5S/c1-8-9(7-13-15-8)3-2-6-14-21(18,19)11-5-4-10(20-11)12(16)17/h4-5,7,14H,2-3,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyAOWBLHPACYONGK-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.92
Rot. Bonds7

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

5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid (PubChem CID 62040684) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid
PubChem CID62040684
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid
SMILESCc1[nH]ncc1CCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H15N3O5S/c1-8-9(7-13-15-8)3-2-6-14-21(18,19)11-5-4-10(20-11)12(16)17/h4-5,7,14H,2-3,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyAOWBLHPACYONGK-UHFFFAOYSA-N
XLogP0.92
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid (CID 62040684) is 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid is Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is AOWBLHPACYONGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-8-9(7-13-15-8)3-2-6-14-21(18,19)11-5-4-10(20-11)12(16)17/h4-5,7,14H,2-3,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid?
5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-methyl-1H-pyrazol-4-yl)propylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62040684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).