methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

C17H14ClN3O4S — CID 3289819

IUPACmethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H14ClN3O4S/c1-25-17(22)15-10-16(11-2-4-12(18)5-3-11)21(20-15)13-6-8-14(9-7-13)26(19,23)24/h2-10H,1H3,(H2,19,23,24)
InChIKeyYYMGYENEYKIXFZ-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.63
Rot. Bonds4

About methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (PubChem CID 3289819) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
PubChem CID3289819
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Namemethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H14ClN3O4S/c1-25-17(22)15-10-16(11-2-4-12(18)5-3-11)21(20-15)13-6-8-14(9-7-13)26(19,23)24/h2-10H,1H3,(H2,19,23,24)
InChIKeyYYMGYENEYKIXFZ-UHFFFAOYSA-N
XLogP2.63
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (CID 3289819) is methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The InChIKey is YYMGYENEYKIXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-25-17(22)15-10-16(11-2-4-12(18)5-3-11)21(20-15)13-6-8-14(9-7-13)26(19,23)24/h2-10H,1H3,(H2,19,23,24).
What are the key properties of methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate has a molecular weight of 391.84 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 3289819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).