2-benzyl-5-pyrrolidin-2-ylpyrazine

C15H17N3 — CID 73440172

IUPAC2-benzyl-5-pyrrolidin-2-ylpyrazine
SMILESc1ccc(Cc2cnc(C3CCCN3)cn2)cc1
InChIInChI=1S/C15H17N3/c1-2-5-12(6-3-1)9-13-10-18-15(11-17-13)14-7-4-8-16-14/h1-3,5-6,10-11,14,16H,4,7-9H2
InChIKeyVSKYTHVZPNDWSY-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.49
Rot. Bonds3

About 2-benzyl-5-pyrrolidin-2-ylpyrazine

2-benzyl-5-pyrrolidin-2-ylpyrazine (PubChem CID 73440172) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-benzyl-5-pyrrolidin-2-ylpyrazine.

Molecular Properties

Compound Name2-benzyl-5-pyrrolidin-2-ylpyrazine
PubChem CID73440172
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-benzyl-5-pyrrolidin-2-ylpyrazine
SMILESc1ccc(Cc2cnc(C3CCCN3)cn2)cc1
InChIInChI=1S/C15H17N3/c1-2-5-12(6-3-1)9-13-10-18-15(11-17-13)14-7-4-8-16-14/h1-3,5-6,10-11,14,16H,4,7-9H2
InChIKeyVSKYTHVZPNDWSY-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 90058028
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816697
2-(2-methylphenyl)-5-pyrrolidin-2-ylpyrazine
CID 155983162
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
CID 95846608
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
2-(1H-imidazol-2-yl)-5-pyrrolidin-2-ylpyrazine
CID 132648027
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-pyrrolidin-2-ylpyrazine?
The IUPAC name of 2-benzyl-5-pyrrolidin-2-ylpyrazine (CID 73440172) is 2-benzyl-5-pyrrolidin-2-ylpyrazine.
What is the SMILES notation for 2-benzyl-5-pyrrolidin-2-ylpyrazine?
The canonical SMILES for 2-benzyl-5-pyrrolidin-2-ylpyrazine is c1ccc(Cc2cnc(C3CCCN3)cn2)cc1.
What is the InChIKey of 2-benzyl-5-pyrrolidin-2-ylpyrazine?
The InChIKey is VSKYTHVZPNDWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-5-12(6-3-1)9-13-10-18-15(11-17-13)14-7-4-8-16-14/h1-3,5-6,10-11,14,16H,4,7-9H2.
What are the key properties of 2-benzyl-5-pyrrolidin-2-ylpyrazine?
2-benzyl-5-pyrrolidin-2-ylpyrazine has a molecular weight of 239.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-pyrrolidin-2-ylpyrazine is sourced from PubChem (CID 73440172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).