2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine

C16H23N5O2S — CID 124972197

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-16(12(2)20-19-11)15-9-17-8-14(18-15)7-13-5-4-6-21(10-13)24(3,22)23/h8-9,13H,4-7,10H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyKBIMHZJMDWZJTP-ZDUSSCGKSA-N
MW349.46 g/mol
LogP1.70
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine (PubChem CID 124972197) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
PubChem CID124972197
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-16(12(2)20-19-11)15-9-17-8-14(18-15)7-13-5-4-6-21(10-13)24(3,22)23/h8-9,13H,4-7,10H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyKBIMHZJMDWZJTP-ZDUSSCGKSA-N
XLogP1.70
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1H-pyrazol-4-yl)pyrazine
CID 124945514
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
CID 125020252
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
CID 124998163
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917
(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125017693
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine (CID 124972197) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine is Cc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The InChIKey is KBIMHZJMDWZJTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-16(12(2)20-19-11)15-9-17-8-14(18-15)7-13-5-4-6-21(10-13)24(3,22)23/h8-9,13H,4-7,10H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine has a molecular weight of 349.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 124972197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).