4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine

C16H19F2N3O2S — CID 19615185

IUPAC4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESO=S(=O)(c1cnn(C(F)F)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H19F2N3O2S/c17-16(18)21-12-15(11-19-21)24(22,23)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14,16H,6-10H2
InChIKeyUAGYUIAFYYFOJL-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.92
Rot. Bonds5

About 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine

4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine (PubChem CID 19615185) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine
PubChem CID19615185
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC Name4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESO=S(=O)(c1cnn(C(F)F)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H19F2N3O2S/c17-16(18)21-12-15(11-19-21)24(22,23)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14,16H,6-10H2
InChIKeyUAGYUIAFYYFOJL-UHFFFAOYSA-N
XLogP2.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
N-({1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-1-phenylmethanesulfonamide
CID 16187896
3-[2-(4-fluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 56865788
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129
1-benzyl-1H-pyrazole-4-sulfonyl chloride
CID 43531756

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine (CID 19615185) is 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine is O=S(=O)(c1cnn(C(F)F)c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The InChIKey is UAGYUIAFYYFOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c17-16(18)21-12-15(11-19-21)24(22,23)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14,16H,6-10H2.
What are the key properties of 4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
4-benzyl-1-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperidine has a molecular weight of 355.41 g/mol, XLogP of 2.92, 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)pyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 19615185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).