(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone

C17H19N3O — CID 136561624

IUPAC(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(c3cnccn3)C2)c1
InChIInChI=1S/C17H19N3O/c1-12-7-13(2)9-15(8-12)17(21)20-6-3-14(11-20)16-10-18-4-5-19-16/h4-5,7-10,14H,3,6,11H2,1-2H3
InChIKeyPLAJHZYWZSQPNU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.72
Rot. Bonds2

About (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone

(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 136561624) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
PubChem CID136561624
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(c3cnccn3)C2)c1
InChIInChI=1S/C17H19N3O/c1-12-7-13(2)9-15(8-12)17(21)20-6-3-14(11-20)16-10-18-4-5-19-16/h4-5,7-10,14H,3,6,11H2,1-2H3
InChIKeyPLAJHZYWZSQPNU-UHFFFAOYSA-N
XLogP2.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylphenyl)-(3-pyrimidin-2-ylpyrrolidin-1-yl)methanone
CID 136561628
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110102495
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one
CID 92602615
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 166269754
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110271238

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone (CID 136561624) is (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCC(c3cnccn3)C2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is PLAJHZYWZSQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-7-13(2)9-15(8-12)17(21)20-6-3-14(11-20)16-10-18-4-5-19-16/h4-5,7-10,14H,3,6,11H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 136561624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).