2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine

C15H21N5O2S — CID 124983638

IUPAC2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
SMILESCn1nccc1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C15H21N5O2S/c1-19-15(5-6-18-19)14-10-16-13(9-17-14)8-12-4-3-7-20(11-12)23(2,21)22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyNFHZAWVITCCKFH-LBPRGKRZSA-N
MW335.43 g/mol
LogP1.09
Rot. Bonds4

About 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine

2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine (PubChem CID 124983638) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
PubChem CID124983638
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
SMILESCn1nccc1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C15H21N5O2S/c1-19-15(5-6-18-19)14-10-16-13(9-17-14)8-12-4-3-7-20(11-12)23(2,21)22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyNFHZAWVITCCKFH-LBPRGKRZSA-N
XLogP1.09
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131565
2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
CID 125014070
4-(2-methylpyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101295
N,N-dimethyl-4-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 155983374
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110101426
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395
2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 110101757
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine (CID 124983638) is 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine is Cn1nccc1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The InChIKey is NFHZAWVITCCKFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19-15(5-6-18-19)14-10-16-13(9-17-14)8-12-4-3-7-20(11-12)23(2,21)22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine has a molecular weight of 335.43 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 124983638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).