2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

C15H21N5O2S — CID 124994871

IUPAC2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCCn1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1
InChIInChI=1S/C15H21N5O2S/c1-3-19-10-13(7-18-19)15-9-16-14(8-17-15)12-5-4-6-20(11-12)23(2,21)22/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyQHWDVFSQARXVIN-GFCCVEGCSA-N
MW335.43 g/mol
LogP1.50
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 124994871) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
PubChem CID124994871
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCCn1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1
InChIInChI=1S/C15H21N5O2S/c1-3-19-10-13(7-18-19)15-9-16-14(8-17-15)12-5-4-6-20(11-12)23(2,21)22/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyQHWDVFSQARXVIN-GFCCVEGCSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethylpyrazol-4-yl)-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 127246053
2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
CID 110102339
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 124986244
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
CID 124976826
3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110102185
2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110102340
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110102274

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine (CID 124994871) is 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine is CCn1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is QHWDVFSQARXVIN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-19-10-13(7-18-19)15-9-16-14(8-17-15)12-5-4-6-20(11-12)23(2,21)22/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine has a molecular weight of 335.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 124994871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).