(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine

C17H23N3O2S — CID 124999687

IUPAC(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCCN1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H23N3O2S/c1-13-11-18-19-17(13)16-5-3-4-10-20(16)12-14-6-8-15(9-7-14)23(2,21)22/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyRQKVOXSPLVIOQW-INIZCTEOSA-N
MW333.46 g/mol
LogP2.85
Rot. Bonds4

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

(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine (PubChem CID 124999687) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
PubChem CID124999687
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCCN1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H23N3O2S/c1-13-11-18-19-17(13)16-5-3-4-10-20(16)12-14-6-8-15(9-7-14)23(2,21)22/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyRQKVOXSPLVIOQW-INIZCTEOSA-N
XLogP2.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95826979
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95824213
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125011600
(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95843085
1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 110218048
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-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124954168

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The IUPAC name of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine (CID 124999687) is (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine.
What is the SMILES notation for (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The canonical SMILES for (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine is Cc1cn[nH]c1[C@@H]1CCCCN1Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The InChIKey is RQKVOXSPLVIOQW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13-11-18-19-17(13)16-5-3-4-10-20(16)12-14-6-8-15(9-7-14)23(2,21)22/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine has a molecular weight of 333.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine is sourced from PubChem (CID 124999687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).