5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

C24H31ClN6O2S — CID 22267368

IUPAC5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCN1CCC(/N=C(\NS(=O)(=O)N(C)C)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1
InChIInChI=1S/C24H31ClN6O2S/c1-29(2)34(32,33)28-24(26-21-13-15-30(3)16-14-21)31-17-22(18-7-5-4-6-8-18)23(27-31)19-9-11-20(25)12-10-19/h4-12,21-22H,13-17H2,1-3H3,(H,26,28)
InChIKeyLIUQEWVGSQLYDJ-UHFFFAOYSA-N
MW503.07 g/mol
LogP2.99
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 22267368) has the molecular formula C24H31ClN6O2S and a molecular weight of 503.07 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID22267368
Molecular FormulaC24H31ClN6O2S
Molecular Weight503.07 g/mol
Exact Mass502.19
IUPAC Name5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCN1CCC(/N=C(\NS(=O)(=O)N(C)C)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1
InChIInChI=1S/C24H31ClN6O2S/c1-29(2)34(32,33)28-24(26-21-13-15-30(3)16-14-21)31-17-22(18-7-5-4-6-8-18)23(27-31)19-9-11-20(25)12-10-19/h4-12,21-22H,13-17H2,1-3H3,(H,26,28)
InChIKeyLIUQEWVGSQLYDJ-UHFFFAOYSA-N
XLogP2.99
TPSA80.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.07
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide 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

Ibipinabant
CID 9826744
Slv319
CID 11179267
(S)-3-(4-chlorophenyl)-N-methyl-4-phenyl-N''-(4-(trifluoromethyl)piperidin-1-ylsulfonyl)-4,5-dihydro-1H-pyrazole-1-carboximidamide
CID 44555025
3-(4-chlorophenyl)-N-methyl-4-phenyl-N''-(4-(trifluoromethyl)piperidin-1-ylsulfonyl)-4,5-dihydro-1H-pyrazole-1-carboximidamide
CID 44608360
3-(4-chlorophenyl)-N''-(4-fluoropiperidin-1-ylsulfonyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
CID 44608519
(S)-3-(4-chlorophenyl)-N''-(4,4-difluoropiperidin-1-ylsulfonyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
CID 44608681
5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 44629129
6-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-N'-methyl-5-phenyl-4,5-dihydro-3H-pyridazine-2-carboximidamide
CID 44626293
methyl N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcarbonimidoyl]carbamimidothioate
CID 166625312
(NZ,4S)-N-(1-aminoethylidene)-5-(4-chlorophenyl)-N'-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 166636261
N-[1-[3-(4-Chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide
CID 11224783
3-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide
CID 11237129

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide (CID 22267368) is 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide is CN1CCC(/N=C(\NS(=O)(=O)N(C)C)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is LIUQEWVGSQLYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2S/c1-29(2)34(32,33)28-24(26-21-13-15-30(3)16-14-21)31-17-22(18-7-5-4-6-8-18)23(27-31)19-9-11-20(25)12-10-19/h4-12,21-22H,13-17H2,1-3H3,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 503.07 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-N'-(1-methylpiperidin-4-yl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 22267368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).