2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

C15H21N5O2S — CID 125020173

IUPAC2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCCn1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1
InChIInChI=1S/C15H21N5O2S/c1-3-19-10-13(7-17-19)15-9-16-8-14(18-15)12-5-4-6-20(11-12)23(2,21)22/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyYBCDNLRZMGAUNH-GFCCVEGCSA-N
MW335.43 g/mol
LogP1.50
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 125020173) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
PubChem CID125020173
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCCn1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1
InChIInChI=1S/C15H21N5O2S/c1-3-19-10-13(7-17-19)15-9-16-8-14(18-15)12-5-4-6-20(11-12)23(2,21)22/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyYBCDNLRZMGAUNH-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

Analyze 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine (CID 125020173) is 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine is CCn1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is YBCDNLRZMGAUNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-19-10-13(7-17-19)15-9-16-8-14(18-15)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)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
2-(1-ethylpyrazol-4-yl)-6-[(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)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 125020173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).