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

C16H21N5O — CID 124949029

IUPAC1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCn1nccc1-c1cncc(C[C@@H]2CCN(C(C)=O)C2)n1
InChIInChI=1S/C16H21N5O/c1-3-21-16(4-6-18-21)15-10-17-9-14(19-15)8-13-5-7-20(11-13)12(2)22/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyCQZKPIFYQUBZSP-ZDUSSCGKSA-N
MW299.38 g/mol
LogP1.77
Rot. Bonds4

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

1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 124949029) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID124949029
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCn1nccc1-c1cncc(C[C@@H]2CCN(C(C)=O)C2)n1
InChIInChI=1S/C16H21N5O/c1-3-21-16(4-6-18-21)15-10-17-9-14(19-15)8-13-5-7-20(11-13)12(2)22/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyCQZKPIFYQUBZSP-ZDUSSCGKSA-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

Analyze 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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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-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619
1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102457
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124995802
3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110101583
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101484
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
2,2-dimethyl-1-[3-[[6-(2-propylpyrazol-3-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 127246022

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 124949029) is 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CCn1nccc1-c1cncc(C[C@@H]2CCN(C(C)=O)C2)n1.
What is the InChIKey of 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is CQZKPIFYQUBZSP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-21-16(4-6-18-21)15-10-17-9-14(19-15)8-13-5-7-20(11-13)12(2)22/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[[6-(2-ethylpyrazol-3-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-[(3S)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124949029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).