N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C24H26F3N5O4S — CID 155518007

IUPACN-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCN3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H26F3N5O4S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(33)29-10-1-11-31-12-14-36-15-13-31)30-32(22)19-6-8-20(9-7-19)37(28,34)35/h2-9,16H,1,10-15H2,(H,29,33)(H2,28,34,35)
InChIKeyMJIRHAUHJSGORB-UHFFFAOYSA-N
MW537.56 g/mol
LogP2.66
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 155518007) has the molecular formula C24H26F3N5O4S and a molecular weight of 537.56 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID155518007
Molecular FormulaC24H26F3N5O4S
Molecular Weight537.56 g/mol
Exact Mass537.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCN3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H26F3N5O4S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(33)29-10-1-11-31-12-14-36-15-13-31)30-32(22)19-6-8-20(9-7-19)37(28,34)35/h2-9,16H,1,10-15H2,(H,29,33)(H2,28,34,35)
InChIKeyMJIRHAUHJSGORB-UHFFFAOYSA-N
XLogP2.66
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.56
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 57521469
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 150503533
N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151104161
5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151319427
N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155513070
4-[5-(4-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155517041
4-[5-(4-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155519294
4-[3-(Thiomorpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 155528880
4-[5-(4-Bromophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155532511
4-[5-(4-Methylphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155539820
4-[5-(3-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155542855
4-[5-(3-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155545220

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 155518007) is N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCN3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is MJIRHAUHJSGORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(33)29-10-1-11-31-12-14-36-15-13-31)30-32(22)19-6-8-20(9-7-19)37(28,34)35/h2-9,16H,1,10-15H2,(H,29,33)(H2,28,34,35).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 537.56 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155518007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).