4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine

C18H23F2N3O2S — CID 19614806

IUPAC4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H23F2N3O2S/c1-13-17(14(2)23(21-13)18(19)20)26(24,25)22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,16,18H,8-12H2,1-2H3
InChIKeyLCCMVGQXXUHVDC-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.54
Rot. Bonds5

About 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine

4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine (PubChem CID 19614806) has the molecular formula C18H23F2N3O2S and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
PubChem CID19614806
Molecular FormulaC18H23F2N3O2S
Molecular Weight383.46 g/mol
Exact Mass383.15
IUPAC Name4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H23F2N3O2S/c1-13-17(14(2)23(21-13)18(19)20)26(24,25)22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,16,18H,8-12H2,1-2H3
InChIKeyLCCMVGQXXUHVDC-UHFFFAOYSA-N
XLogP3.54
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-1-[1-(difluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine (CID 19614806) is 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
The InChIKey is LCCMVGQXXUHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2S/c1-13-17(14(2)23(21-13)18(19)20)26(24,25)22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,16,18H,8-12H2,1-2H3.
What are the key properties of 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine?
4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine has a molecular weight of 383.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 19614806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).