2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine

C14H19N5O2S — CID 125023711

IUPAC2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cnccn1
InChIInChI=1S/C14H19N5O2S/c1-22(20,21)13-9-17-18-14(13)12-4-2-3-7-19(12)10-11-8-15-5-6-16-11/h5-6,8-9,12H,2-4,7,10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyZACZNAFTSKGQCZ-LBPRGKRZSA-N
MW321.41 g/mol
LogP1.33
Rot. Bonds4

About 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine

2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine (PubChem CID 125023711) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
PubChem CID125023711
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cnccn1
InChIInChI=1S/C14H19N5O2S/c1-22(20,21)13-9-17-18-14(13)12-4-2-3-7-19(12)10-11-8-15-5-6-16-11/h5-6,8-9,12H,2-4,7,10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyZACZNAFTSKGQCZ-LBPRGKRZSA-N
XLogP1.33
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124954168
1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 110149794
(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 125002523
2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
CID 110106240
2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
CID 125017567
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741502
(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247377
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95848466
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine (CID 125023711) is 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine is CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cnccn1.
What is the InChIKey of 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
The InChIKey is ZACZNAFTSKGQCZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-22(20,21)13-9-17-18-14(13)12-4-2-3-7-19(12)10-11-8-15-5-6-16-11/h5-6,8-9,12H,2-4,7,10H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine?
2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine has a molecular weight of 321.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 125023711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).