2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine

C16H23N5O2S — CID 124972911

IUPAC2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-8-20-11-14(10-19-20)16-15(17-6-7-18-16)13-5-4-9-21(12-13)24(2,22)23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3/t13-/m1/s1
InChIKeyKGSCCHIOUPLOCG-CYBMUJFWSA-N
MW349.46 g/mol
LogP1.89
Rot. Bonds5

About 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine

2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine (PubChem CID 124972911) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
PubChem CID124972911
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-8-20-11-14(10-19-20)16-15(17-6-7-18-16)13-5-4-9-21(12-13)24(2,22)23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3/t13-/m1/s1
InChIKeyKGSCCHIOUPLOCG-CYBMUJFWSA-N
XLogP1.89
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
CID 110102339
3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110102185
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
2-(1-ethylpyrazol-4-yl)-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 127246053
2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124994871
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102174
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
CID 124998163
N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110102274
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125001800

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine (CID 124972911) is 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine is CCCn1cc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine?
The InChIKey is KGSCCHIOUPLOCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-8-20-11-14(10-19-20)16-15(17-6-7-18-16)13-5-4-9-21(12-13)24(2,22)23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine?
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine has a molecular weight of 349.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 124972911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).