1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine

C15H15F4N3O2S — CID 133284456

IUPAC1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine
SMILESO=S(=O)(c1cc(F)ccc1N1CCC(n2cccn2)CC1)C(F)(F)F
InChIInChI=1S/C15H15F4N3O2S/c16-11-2-3-13(14(10-11)25(23,24)15(17,18)19)21-8-4-12(5-9-21)22-7-1-6-20-22/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyGXJNSFLLPYBRDW-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.16
Rot. Bonds3

About 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine

1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine (PubChem CID 133284456) has the molecular formula C15H15F4N3O2S and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine
PubChem CID133284456
Molecular FormulaC15H15F4N3O2S
Molecular Weight377.36 g/mol
Exact Mass377.08
IUPAC Name1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine
SMILESO=S(=O)(c1cc(F)ccc1N1CCC(n2cccn2)CC1)C(F)(F)F
InChIInChI=1S/C15H15F4N3O2S/c16-11-2-3-13(14(10-11)25(23,24)15(17,18)19)21-8-4-12(5-9-21)22-7-1-6-20-22/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyGXJNSFLLPYBRDW-UHFFFAOYSA-N
XLogP3.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide
CID 133284294
1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
CID 133283739
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
CID 133446523
4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-1,4-thiazepane
CID 133283409
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine
CID 133283522
5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 133283907
3-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 133284808
[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
CID 95697257
4-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]pyrimidin-2-amine
CID 102563444
1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 55132124
1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine
CID 75398503
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine (CID 133284456) is 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine is O=S(=O)(c1cc(F)ccc1N1CCC(n2cccn2)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine?
The InChIKey is GXJNSFLLPYBRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2S/c16-11-2-3-13(14(10-11)25(23,24)15(17,18)19)21-8-4-12(5-9-21)22-7-1-6-20-22/h1-3,6-7,10,12H,4-5,8-9H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine?
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine has a molecular weight of 377.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 133284456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).