methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate

C11H13N3O5S — CID 61394118

IUPACmethyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H13N3O5S/c1-6-9(11(15)18-3)10(7(2)19-6)20(16,17)14-8-4-5-12-13-8/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyFTANFXDOXYLGSG-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.21
Rot. Bonds4

About methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate

methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate (PubChem CID 61394118) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate
PubChem CID61394118
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Namemethyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H13N3O5S/c1-6-9(11(15)18-3)10(7(2)19-6)20(16,17)14-8-4-5-12-13-8/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyFTANFXDOXYLGSG-UHFFFAOYSA-N
XLogP1.21
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate (CID 61394118) is methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccn[nH]1.
What is the InChIKey of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate?
The InChIKey is FTANFXDOXYLGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-6-9(11(15)18-3)10(7(2)19-6)20(16,17)14-8-4-5-12-13-8/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate?
methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate is sourced from PubChem (CID 61394118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).