1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine

C18H23F2N3O4S2 — CID 78827823

IUPAC1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
SMILESCc1nn(Cc2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H23F2N3O4S2/c1-13-17(29(26,27)22-10-4-3-5-11-22)14(2)23(21-13)12-15-6-8-16(9-7-15)28(24,25)18(19)20/h6-9,18H,3-5,10-12H2,1-2H3
InChIKeyGIKHOLJKAXRGTQ-UHFFFAOYSA-N
MW447.53 g/mol
LogP2.72
Rot. Bonds6

About 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine

1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine (PubChem CID 78827823) has the molecular formula C18H23F2N3O4S2 and a molecular weight of 447.53 g/mol. Its IUPAC name is 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
PubChem CID78827823
Molecular FormulaC18H23F2N3O4S2
Molecular Weight447.53 g/mol
Exact Mass447.11
IUPAC Name1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
SMILESCc1nn(Cc2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H23F2N3O4S2/c1-13-17(29(26,27)22-10-4-3-5-11-22)14(2)23(21-13)12-15-6-8-16(9-7-15)28(24,25)18(19)20/h6-9,18H,3-5,10-12H2,1-2H3
InChIKeyGIKHOLJKAXRGTQ-UHFFFAOYSA-N
XLogP2.72
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine 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-butan-2-ylbenzamide
CID 53139570
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 53139433
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139579
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-(2-methylsulfanylphenyl)benzamide
CID 53139475
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-(2,3-dimethylphenyl)benzamide
CID 53139572
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
CID 9184151
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139483
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(3-ethylphenyl)benzamide
CID 53139585
cyclopropyl-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 9285907
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 112813640

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine (CID 78827823) is 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine is Cc1nn(Cc2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
The InChIKey is GIKHOLJKAXRGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O4S2/c1-13-17(29(26,27)22-10-4-3-5-11-22)14(2)23(21-13)12-15-6-8-16(9-7-15)28(24,25)18(19)20/h6-9,18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine has a molecular weight of 447.53 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 78827823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).