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

C24H25F3N4O5S — CID 155522446

IUPAC3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)OCCCN3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H25F3N4O5S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(32)36-13-1-10-30-11-14-35-15-12-30)29-31(22)19-6-8-20(9-7-19)37(28,33)34/h2-9,16H,1,10-15H2,(H2,28,33,34)
InChIKeyZHWIKUYCPQHTGA-UHFFFAOYSA-N
MW538.55 g/mol
LogP3.08
Rot. Bonds8

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

3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate (PubChem CID 155522446) has the molecular formula C24H25F3N4O5S and a molecular weight of 538.55 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
PubChem CID155522446
Molecular FormulaC24H25F3N4O5S
Molecular Weight538.55 g/mol
Exact Mass538.15
IUPAC Name3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)OCCCN3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H25F3N4O5S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(32)36-13-1-10-30-11-14-35-15-12-30)29-31(22)19-6-8-20(9-7-19)37(28,33)34/h2-9,16H,1,10-15H2,(H2,28,33,34)
InChIKeyZHWIKUYCPQHTGA-UHFFFAOYSA-N
XLogP3.08
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid
CID 10047220
2-Morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155545912
4-[3-(Morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 155552805
methyl 5-(4-iodophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylate
CID 53319031
ethyl 5-(4-iodophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylate
CID 53320110
3-Morpholin-4-ylpropyl 5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155510363
2-Morpholin-4-ylethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155513887
2-Morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155515015
N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 155518007
3-Morpholin-4-ylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155527852
3-Morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155536282
3-Morpholin-4-ylpropyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155537808

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The IUPAC name of 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate (CID 155522446) is 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate is NS(=O)(=O)c1ccc(-n2nc(C(=O)OCCCN3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The InChIKey is ZHWIKUYCPQHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O5S/c25-24(26,27)18-4-2-17(3-5-18)22-16-21(23(32)36-13-1-10-30-11-14-35-15-12-30)29-31(22)19-6-8-20(9-7-19)37(28,33)34/h2-9,16H,1,10-15H2,(H2,28,33,34).
What are the key properties of 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate has a molecular weight of 538.55 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 155522446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).