1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C16H21N5O — CID 110102457

IUPAC1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCn1cc(-c2cncc(CC3CCN(C(C)=O)C3)n2)cn1
InChIInChI=1S/C16H21N5O/c1-3-21-11-14(7-18-21)16-9-17-8-15(19-16)6-13-4-5-20(10-13)12(2)22/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyHEVBVRQBFUVFAA-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.77
Rot. Bonds4

About 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110102457) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110102457
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCn1cc(-c2cncc(CC3CCN(C(C)=O)C3)n2)cn1
InChIInChI=1S/C16H21N5O/c1-3-21-11-14(7-18-21)16-9-17-8-15(19-16)6-13-4-5-20(10-13)12(2)22/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyHEVBVRQBFUVFAA-UHFFFAOYSA-N
XLogP1.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949029
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125015816
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-(1-propylpyrazol-4-yl)pyrazine
CID 124998163
5-[6-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120519
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
1-[4-[[6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110102290
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124995802

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110102457) is 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CCn1cc(-c2cncc(CC3CCN(C(C)=O)C3)n2)cn1.
What is the InChIKey of 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HEVBVRQBFUVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-21-11-14(7-18-21)16-9-17-8-15(19-16)6-13-4-5-20(10-13)12(2)22/h7-9,11,13H,3-6,10H2,1-2H3.
What are the key properties of 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 299.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110102457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).