4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide

C24H27FN4O3S — CID 53139433

IUPAC4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H27FN4O3S/c1-17-23(33(31,32)28-14-4-3-5-15-28)18(2)29(27-17)16-19-6-8-20(9-7-19)24(30)26-22-12-10-21(25)11-13-22/h6-13H,3-5,14-16H2,1-2H3,(H,26,30)
InChIKeyCOUDTMGNMCGMIL-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.11
Rot. Bonds6

About 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide

4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide (PubChem CID 53139433) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide
PubChem CID53139433
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H27FN4O3S/c1-17-23(33(31,32)28-14-4-3-5-15-28)18(2)29(27-17)16-19-6-8-20(9-7-19)24(30)26-22-12-10-21(25)11-13-22/h6-13H,3-5,14-16H2,1-2H3,(H,26,30)
InChIKeyCOUDTMGNMCGMIL-UHFFFAOYSA-N
XLogP4.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide 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-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(3-ethylphenyl)benzamide
CID 53139585
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
CID 53139475
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(2,3-dimethylphenyl)benzamide
CID 53139572
N-(2,4-dimethylphenyl)-4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]benzamide
CID 53139440
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139579
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 53139549
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 95094259
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139483
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53139514
1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 78827823

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide (CID 53139433) is 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide is Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide?
The InChIKey is COUDTMGNMCGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-17-23(33(31,32)28-14-4-3-5-15-28)18(2)29(27-17)16-19-6-8-20(9-7-19)24(30)26-22-12-10-21(25)11-13-22/h6-13H,3-5,14-16H2,1-2H3,(H,26,30).
What are the key properties of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide?
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 53139433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).