methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

C19H15N3O5S — CID 162652738

IUPACmethyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc3ccccc3o2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H15N3O5S/c1-26-19(23)15-11-16(18-10-12-4-2-3-5-17(12)27-18)22(21-15)13-6-8-14(9-7-13)28(20,24)25/h2-11H,1H3,(H2,20,24,25)
InChIKeyRZNFPFJVZXZBDR-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.72
Rot. Bonds4

About methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (PubChem CID 162652738) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
PubChem CID162652738
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Namemethyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc3ccccc3o2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H15N3O5S/c1-26-19(23)15-11-16(18-10-12-4-2-3-5-17(12)27-18)22(21-15)13-6-8-14(9-7-13)28(20,24)25/h2-11H,1H3,(H2,20,24,25)
InChIKeyRZNFPFJVZXZBDR-UHFFFAOYSA-N
XLogP2.72
TPSA117.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (CID 162652738) is methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is COC(=O)c1cc(-c2cc3ccccc3o2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The InChIKey is RZNFPFJVZXZBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c1-26-19(23)15-11-16(18-10-12-4-2-3-5-17(12)27-18)22(21-15)13-6-8-14(9-7-13)28(20,24)25/h2-11H,1H3,(H2,20,24,25).
What are the key properties of methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate has a molecular weight of 397.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-benzofuran-2-yl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 162652738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).