1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C16H21N5O — CID 110101484

IUPAC1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCCn1nccc1-c1cnc(C2CCCN(C(C)=O)C2)cn1
InChIInChI=1S/C16H21N5O/c1-3-21-16(6-7-19-21)15-10-17-14(9-18-15)13-5-4-8-20(11-13)12(2)22/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKeyOEPQQKRRLAULKX-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.09
Rot. Bonds3

About 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110101484) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110101484
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCCn1nccc1-c1cnc(C2CCCN(C(C)=O)C2)cn1
InChIInChI=1S/C16H21N5O/c1-3-21-16(6-7-19-21)15-10-17-14(9-18-15)13-5-4-8-20(11-13)12(2)22/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKeyOEPQQKRRLAULKX-UHFFFAOYSA-N
XLogP2.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
1-[3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101486
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124971110
2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124988141
2-(2-ethylpyrazol-3-yl)-5-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyrazine
CID 125013738
1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256203

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110101484) is 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CCn1nccc1-c1cnc(C2CCCN(C(C)=O)C2)cn1.
What is the InChIKey of 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is OEPQQKRRLAULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-21-16(6-7-19-21)15-10-17-14(9-18-15)13-5-4-8-20(11-13)12(2)22/h6-7,9-10,13H,3-5,8,11H2,1-2H3.
What are the key properties of 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 299.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110101484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).