methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate

C11H13N3O5S — CID 99802822

IUPACmethyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cn[nH]c2C)o1
InChIInChI=1S/C11H13N3O5S/c1-7-8(5-12-14-7)6-13-20(16,17)10-4-3-9(19-10)11(15)18-2/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyKQZTZXTVRWPGHM-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.58
Rot. Bonds5

About methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate

methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate (PubChem CID 99802822) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate
PubChem CID99802822
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Namemethyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cn[nH]c2C)o1
InChIInChI=1S/C11H13N3O5S/c1-7-8(5-12-14-7)6-13-20(16,17)10-4-3-9(19-10)11(15)18-2/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyKQZTZXTVRWPGHM-UHFFFAOYSA-N
XLogP0.58
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate (CID 99802822) is methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NCc2cn[nH]c2C)o1.
What is the InChIKey of methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate?
The InChIKey is KQZTZXTVRWPGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-7-8(5-12-14-7)6-13-20(16,17)10-4-3-9(19-10)11(15)18-2/h3-5,13H,6H2,1-2H3,(H,12,14).
What are the key properties of methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate?
methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 99802822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).