1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C15H19N5O — CID 124974350

IUPAC1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](Cc2nccnc2-c2ccnn2C)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-8-4-12(10-20)9-13-15(17-7-6-16-13)14-3-5-18-19(14)2/h3,5-7,12H,4,8-10H2,1-2H3/t12-/m1/s1
InChIKeyKQENSLOUFPFVBP-GFCCVEGCSA-N
MW285.35 g/mol
LogP1.29
Rot. Bonds3

About 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 124974350) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID124974350
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](Cc2nccnc2-c2ccnn2C)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-8-4-12(10-20)9-13-15(17-7-6-16-13)14-3-5-18-19(14)2/h3,5-7,12H,4,8-10H2,1-2H3/t12-/m1/s1
InChIKeyKQENSLOUFPFVBP-GFCCVEGCSA-N
XLogP1.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591
2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110101653
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
1-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102218
1-[3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110101944
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
CID 127248108
1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
1-[(3S)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943301
1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943302
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 124974350) is 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](Cc2nccnc2-c2ccnn2C)C1.
What is the InChIKey of 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is KQENSLOUFPFVBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(21)20-8-4-12(10-20)9-13-15(17-7-6-16-13)14-3-5-18-19(14)2/h3,5-7,12H,4,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124974350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).