1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C15H19N5O — CID 124961591

IUPAC1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2nccnc2-c2cnn(C)c2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-6-3-12(9-20)7-14-15(17-5-4-16-14)13-8-18-19(2)10-13/h4-5,8,10,12H,3,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyHCSGSCXJJOFJIL-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.29
Rot. Bonds3

About 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 124961591) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID124961591
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2nccnc2-c2cnn(C)c2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-6-3-12(9-20)7-14-15(17-5-4-16-14)13-8-18-19(2)10-13/h4-5,8,10,12H,3,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyHCSGSCXJJOFJIL-LBPRGKRZSA-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

Analyze 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95842023
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696
1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124989647
1-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102218
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
CID 127248108
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
1-[3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110100485
1-[(3R)-3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961794
1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110131702

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 124961591) is 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](Cc2nccnc2-c2cnn(C)c2)C1.
What is the InChIKey of 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HCSGSCXJJOFJIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(21)20-6-3-12(9-20)7-14-15(17-5-4-16-14)13-8-18-19(2)10-13/h4-5,8,10,12H,3,6-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[[3-(1-methylpyrazol-4-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-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124961591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).