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

C18H22F3N3O2S — CID 71781257

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCc1cc(C)n(CC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H22F3N3O2S/c1-13-10-14(2)24(22-13)12-15-6-8-23(9-7-15)27(25,26)17-5-3-4-16(11-17)18(19,20)21/h3-5,10-11,15H,6-9,12H2,1-2H3
InChIKeyCCRQILIQKCTJGX-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.62
Rot. Bonds4

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 71781257) has the molecular formula C18H22F3N3O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID71781257
Molecular FormulaC18H22F3N3O2S
Molecular Weight401.45 g/mol
Exact Mass401.14
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCc1cc(C)n(CC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H22F3N3O2S/c1-13-10-14(2)24(22-13)12-15-6-8-23(9-7-15)27(25,26)17-5-3-4-16(11-17)18(19,20)21/h3-5,10-11,15H,6-9,12H2,1-2H3
InChIKeyCCRQILIQKCTJGX-UHFFFAOYSA-N
XLogP3.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
US9156811, Ddd90023
CID 58561235
US9156811, Ddd88191
CID 58561258
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzenesulfonamide
CID 50992864
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
N-[(5-Isobutyl-4-methyl-1-phenyl-1H-pyrazol-3-yl)methyl]benzenesulfonamide
CID 118512798
4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 71781257) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is Cc1cc(C)n(CC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is CCRQILIQKCTJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2S/c1-13-10-14(2)24(22-13)12-15-6-8-23(9-7-15)27(25,26)17-5-3-4-16(11-17)18(19,20)21/h3-5,10-11,15H,6-9,12H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 401.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 71781257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).