1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one

C13H19N3O2 — CID 72909963

IUPAC1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2cnccn2)C[C@]1(C)O
InChIInChI=1S/C13H19N3O2/c1-10-8-16(9-13(10,2)18)12(17)4-3-11-7-14-5-6-15-11/h5-7,10,18H,3-4,8-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyZFZQCZOSZJKWFQ-MFKMUULPSA-N
MW249.31 g/mol
LogP0.64
Rot. Bonds3

About 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one

1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 72909963) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
PubChem CID72909963
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2cnccn2)C[C@]1(C)O
InChIInChI=1S/C13H19N3O2/c1-10-8-16(9-13(10,2)18)12(17)4-3-11-7-14-5-6-15-11/h5-7,10,18H,3-4,8-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyZFZQCZOSZJKWFQ-MFKMUULPSA-N
XLogP0.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one with MolForge

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Related Compounds

1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 72919697
1-[(3S,4S)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 133113552
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 70761712
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propan-1-one
CID 70754765
4-[1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 119068614
3,3,3-trifluoro-1-[4-hydroxy-2-(3-pyrazin-2-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 176501749
(6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one
CID 42190295
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 72930013
(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 126445524
1-[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-pyrazin-2-ylpropan-1-one
CID 172659530
(4aS,8aR)-1-(2-methylpropyl)-6-(3-pyrazin-2-ylpropanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56897896
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-pyrazin-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 164688508

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one (CID 72909963) is 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one is C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@]1(C)O.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The InChIKey is ZFZQCZOSZJKWFQ-MFKMUULPSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-16(9-13(10,2)18)12(17)4-3-11-7-14-5-6-15-11/h5-7,10,18H,3-4,8-9H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one?
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 72909963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).