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

C12H15N3O5S — CID 61285917

IUPACmethyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H15N3O5S/c1-7-10(12(16)19-3)11(8(2)20-7)21(17,18)14-6-9-4-5-13-15-9/h4-5,14H,6H2,1-3H3,(H,13,15)
InChIKeyOBQRSOJEPVFJCS-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.88
Rot. Bonds5

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

methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate (PubChem CID 61285917) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate
PubChem CID61285917
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Namemethyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H15N3O5S/c1-7-10(12(16)19-3)11(8(2)20-7)21(17,18)14-6-9-4-5-13-15-9/h4-5,14H,6H2,1-3H3,(H,13,15)
InChIKeyOBQRSOJEPVFJCS-UHFFFAOYSA-N
XLogP0.88
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate (CID 61285917) is methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate?
The InChIKey is OBQRSOJEPVFJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-7-10(12(16)19-3)11(8(2)20-7)21(17,18)14-6-9-4-5-13-15-9/h4-5,14H,6H2,1-3H3,(H,13,15).
What are the key properties of methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate?
methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate has a molecular weight of 313.34 g/mol, XLogP of 0.88, 5 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-ylmethylsulfamoyl)furan-3-carboxylate is sourced from PubChem (CID 61285917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).