2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine

C15H16FN3 — CID 110270451

IUPAC2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine
SMILESFc1ccc(Cc2cnc(C3CCCN3)cn2)cc1
InChIInChI=1S/C15H16FN3/c16-12-5-3-11(4-6-12)8-13-9-19-15(10-18-13)14-2-1-7-17-14/h3-6,9-10,14,17H,1-2,7-8H2
InChIKeyZGHOLUBTWCCKQX-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.63
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine

2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine (PubChem CID 110270451) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine
PubChem CID110270451
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine
SMILESFc1ccc(Cc2cnc(C3CCCN3)cn2)cc1
InChIInChI=1S/C15H16FN3/c16-12-5-3-11(4-6-12)8-13-9-19-15(10-18-13)14-2-1-7-17-14/h3-6,9-10,14,17H,1-2,7-8H2
InChIKeyZGHOLUBTWCCKQX-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine (CID 110270451) is 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine is Fc1ccc(Cc2cnc(C3CCCN3)cn2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine?
The InChIKey is ZGHOLUBTWCCKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c16-12-5-3-11(4-6-12)8-13-9-19-15(10-18-13)14-2-1-7-17-14/h3-6,9-10,14,17H,1-2,7-8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine?
2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine has a molecular weight of 257.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-ylpyrazine is sourced from PubChem (CID 110270451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).