2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

C22H23ClN4O5S — CID 155545912

IUPAC2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)OCCN3CCOCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN4O5S/c23-17-3-1-16(2-4-17)21-15-20(22(28)32-14-11-26-9-12-31-13-10-26)25-27(21)18-5-7-19(8-6-18)33(24,29)30/h1-8,15H,9-14H2,(H2,24,29,30)
InChIKeyBRPQEBINRWIUOF-UHFFFAOYSA-N
MW490.97 g/mol
LogP2.33
Rot. Bonds7

About 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (PubChem CID 155545912) has the molecular formula C22H23ClN4O5S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
PubChem CID155545912
Molecular FormulaC22H23ClN4O5S
Molecular Weight490.97 g/mol
Exact Mass490.11
IUPAC Name2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)OCCN3CCOCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN4O5S/c23-17-3-1-16(2-4-17)21-15-20(22(28)32-14-11-26-9-12-31-13-10-26)25-27(21)18-5-7-19(8-6-18)33(24,29)30/h1-8,15H,9-14H2,(H2,24,29,30)
InChIKeyBRPQEBINRWIUOF-UHFFFAOYSA-N
XLogP2.33
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (CID 155545912) is 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is NS(=O)(=O)c1ccc(-n2nc(C(=O)OCCN3CCOCC3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The InChIKey is BRPQEBINRWIUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O5S/c23-17-3-1-16(2-4-17)21-15-20(22(28)32-14-11-26-9-12-31-13-10-26)25-27(21)18-5-7-19(8-6-18)33(24,29)30/h1-8,15H,9-14H2,(H2,24,29,30).
What are the key properties of 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate has a molecular weight of 490.97 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 155545912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).