2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine

C15H21N5O2S — CID 125017567

IUPAC2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
SMILESCS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2cnccn2)C1
InChIInChI=1S/C15H21N5O2S/c1-23(21,22)15-9-18-19-14(15)7-12-3-2-6-20(10-12)11-13-8-16-4-5-17-13/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyXIGKQBYDKMCURV-GFCCVEGCSA-N
MW335.43 g/mol
LogP1.06
Rot. Bonds5

About 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine

2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine (PubChem CID 125017567) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
PubChem CID125017567
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
SMILESCS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2cnccn2)C1
InChIInChI=1S/C15H21N5O2S/c1-23(21,22)15-9-18-19-14(15)7-12-3-2-6-20(10-12)11-13-8-16-4-5-17-13/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyXIGKQBYDKMCURV-GFCCVEGCSA-N
XLogP1.06
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124973199
4-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124981670
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124942284
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
(3R)-1-[(4-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124945183
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 124986594
(3R)-1-[(1-methylpyrrol-2-yl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 125022959
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidine
CID 125007759
1-[(2-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106730
3-[[2-[[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 110149747
4-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]pyrimidine
CID 125021083
(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide
CID 124976343

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine (CID 125017567) is 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine is CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2cnccn2)C1.
What is the InChIKey of 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine?
The InChIKey is XIGKQBYDKMCURV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-23(21,22)15-9-18-19-14(15)7-12-3-2-6-20(10-12)11-13-8-16-4-5-17-13/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine?
2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine has a molecular weight of 335.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 125017567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).