1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

C16H21N5O2 — CID 125000897

IUPAC1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCCn1nccc1-c1cncc([C@H]2CCCN2C(=O)COC)n1
InChIInChI=1S/C16H21N5O2/c1-3-21-15(6-7-18-21)13-10-17-9-12(19-13)14-5-4-8-20(14)16(22)11-23-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3/t14-/m1/s1
InChIKeyRZBDFVUQIMLKOA-CQSZACIVSA-N
MW315.38 g/mol
LogP1.67
Rot. Bonds5

About 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 125000897) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID125000897
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCCn1nccc1-c1cncc([C@H]2CCCN2C(=O)COC)n1
InChIInChI=1S/C16H21N5O2/c1-3-21-15(6-7-18-21)13-10-17-9-12(19-13)14-5-4-8-20(14)16(22)11-23-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3/t14-/m1/s1
InChIKeyRZBDFVUQIMLKOA-CQSZACIVSA-N
XLogP1.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298
1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021297
2-methoxy-1-[2-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110101896
3-[6-[1-(2-methoxyacetyl)pyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 110120276
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
1-[(2S)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125006640
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110129510
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124996798
2-amino-1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110129418
1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 125000897) is 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is CCn1nccc1-c1cncc([C@H]2CCCN2C(=O)COC)n1.
What is the InChIKey of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is RZBDFVUQIMLKOA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-21-15(6-7-18-21)13-10-17-9-12(19-13)14-5-4-8-20(14)16(22)11-23-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 315.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 125000897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).