1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C17H23N5O — CID 124971110

IUPAC1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2cncc(-c3ccnn3C(C)C)n2)C1
InChIInChI=1S/C17H23N5O/c1-12(2)22-17(6-7-19-22)16-10-18-9-15(20-16)14-5-4-8-21(11-14)13(3)23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyJUOREFZCCRUPOE-CQSZACIVSA-N
MW313.41 g/mol
LogP2.65
Rot. Bonds3

About 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 124971110) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID124971110
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2cncc(-c3ccnn3C(C)C)n2)C1
InChIInChI=1S/C17H23N5O/c1-12(2)22-17(6-7-19-22)16-10-18-9-15(20-16)14-5-4-8-21(11-14)13(3)23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyJUOREFZCCRUPOE-CQSZACIVSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110101619
1-[3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101232
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
2,2-dimethyl-1-[(3R)-3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124947365
1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 110101819
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824949
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252898
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
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 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 124971110) is 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2cncc(-c3ccnn3C(C)C)n2)C1.
What is the InChIKey of 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is JUOREFZCCRUPOE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(2)22-17(6-7-19-22)16-10-18-9-15(20-16)14-5-4-8-21(11-14)13(3)23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124971110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).