N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C22H25N5O4S — CID 151104161

IUPACN-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCN3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O4S/c23-32(29,30)19-8-6-18(7-9-19)27-21(17-4-2-1-3-5-17)16-20(25-27)22(28)24-10-11-26-12-14-31-15-13-26/h1-9,16H,10-15H2,(H,24,28)(H2,23,29,30)
InChIKeyMOSZQGQUUKSTCW-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.25
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 151104161) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID151104161
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCN3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O4S/c23-32(29,30)19-8-6-18(7-9-19)27-21(17-4-2-1-3-5-17)16-20(25-27)22(28)24-10-11-26-12-14-31-15-13-26/h1-9,16H,10-15H2,(H,24,28)(H2,23,29,30)
InChIKeyMOSZQGQUUKSTCW-UHFFFAOYSA-N
XLogP1.25
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 151104161) is N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NCCN3CCOCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is MOSZQGQUUKSTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c23-32(29,30)19-8-6-18(7-9-19)27-21(17-4-2-1-3-5-17)16-20(25-27)22(28)24-10-11-26-12-14-31-15-13-26/h1-9,16H,10-15H2,(H,24,28)(H2,23,29,30).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 151104161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).