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

C12H15N3O5S — CID 61004291

IUPAC2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-6-9(4-13-15-6)5-14-21(18,19)11-8(3)20-7(2)10(11)12(16)17/h4,14H,5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyGDZFYCRQJOQHIJ-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.10
Rot. Bonds5

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

2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid (PubChem CID 61004291) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid
PubChem CID61004291
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-6-9(4-13-15-6)5-14-21(18,19)11-8(3)20-7(2)10(11)12(16)17/h4,14H,5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyGDZFYCRQJOQHIJ-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid (CID 61004291) is 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid is Cc1[nH]ncc1CNS(=O)(=O)c1c(C)oc(C)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid?
The InChIKey is GDZFYCRQJOQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-6-9(4-13-15-6)5-14-21(18,19)11-8(3)20-7(2)10(11)12(16)17/h4,14H,5H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 61004291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).