1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C15H19N5O — CID 124989647

IUPAC1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2nccnc2-c2cnn(C)c2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-7-3-4-12(10-20)14-15(17-6-5-16-14)13-8-18-19(2)9-13/h5-6,8-9,12H,3-4,7,10H2,1-2H3/t12-/m1/s1
InChIKeyOVVVBRAFJNCSSM-GFCCVEGCSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds2

About 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 124989647) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID124989647
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2nccnc2-c2cnn(C)c2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-7-3-4-12(10-20)14-15(17-6-5-16-14)13-8-18-19(2)9-13/h5-6,8-9,12H,3-4,7,10H2,1-2H3/t12-/m1/s1
InChIKeyOVVVBRAFJNCSSM-GFCCVEGCSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95842023
2,2-dimethyl-1-[(3S)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 125000040
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591
2-(1-methylpyrazol-4-yl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 124641432
1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95730767
[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110110996
[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125004251
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
1-[3-(3-morpholin-4-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 110257328
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
1-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]azepan-1-yl]ethanone
CID 58364631

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 124989647) is 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2nccnc2-c2cnn(C)c2)C1.
What is the InChIKey of 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is OVVVBRAFJNCSSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(21)20-7-3-4-12(10-20)14-15(17-6-5-16-14)13-8-18-19(2)9-13/h5-6,8-9,12H,3-4,7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124989647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).