(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

C22H24FN3O2S — CID 125002523

IUPAC(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1ccccc1-c1ccccc1F
InChIInChI=1S/C22H24FN3O2S/c1-29(27,28)21-14-24-25-22(21)20-12-6-7-13-26(20)15-16-8-2-3-9-17(16)18-10-4-5-11-19(18)23/h2-5,8-11,14,20H,6-7,12-13,15H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeySKYSMBKULDWYEK-FQEVSTJZSA-N
MW413.52 g/mol
LogP4.35
Rot. Bonds5

About (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (PubChem CID 125002523) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
PubChem CID125002523
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1ccccc1-c1ccccc1F
InChIInChI=1S/C22H24FN3O2S/c1-29(27,28)21-14-24-25-22(21)20-12-6-7-13-26(20)15-16-8-2-3-9-17(16)18-10-4-5-11-19(18)23/h2-5,8-11,14,20H,6-7,12-13,15H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeySKYSMBKULDWYEK-FQEVSTJZSA-N
XLogP4.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 110149794
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124954168
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 125023711
2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol
CID 125018471
3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763355
5-[5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860474
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
CID 110106240
1-[(2-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106730
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
3-[(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92621518

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (CID 125002523) is (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1ccccc1-c1ccccc1F.
What is the InChIKey of (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is SKYSMBKULDWYEK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-29(27,28)21-14-24-25-22(21)20-12-6-7-13-26(20)15-16-8-2-3-9-17(16)18-10-4-5-11-19(18)23/h2-5,8-11,14,20H,6-7,12-13,15H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 413.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 125002523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).