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

C22H24FN5O4S — CID 151319427

IUPAC5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCN3CCOCC3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FN5O4S/c23-17-3-1-16(2-4-17)21-15-20(22(29)25-9-10-27-11-13-32-14-12-27)26-28(21)18-5-7-19(8-6-18)33(24,30)31/h1-8,15H,9-14H2,(H,25,29)(H2,24,30,31)
InChIKeyOGDJDJVAGBBWDJ-UHFFFAOYSA-N
MW473.53 g/mol
LogP1.39
Rot. Bonds7

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

5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 151319427) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID151319427
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC Name5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCN3CCOCC3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FN5O4S/c23-17-3-1-16(2-4-17)21-15-20(22(29)25-9-10-27-11-13-32-14-12-27)26-28(21)18-5-7-19(8-6-18)33(24,30)31/h1-8,15H,9-14H2,(H,25,29)(H2,24,30,31)
InChIKeyOGDJDJVAGBBWDJ-UHFFFAOYSA-N
XLogP1.39
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 151319427) is 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NCCN3CCOCC3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is OGDJDJVAGBBWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c23-17-3-1-16(2-4-17)21-15-20(22(29)25-9-10-27-11-13-32-14-12-27)26-28(21)18-5-7-19(8-6-18)33(24,30)31/h1-8,15H,9-14H2,(H,25,29)(H2,24,30,31).
What are the key properties of 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 151319427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).