2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine

C15H15F2N3 — CID 110103097

IUPAC2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
SMILESFc1cc(F)cc(CN2CCCC2c2cnccn2)c1
InChIInChI=1S/C15H15F2N3/c16-12-6-11(7-13(17)8-12)10-20-5-1-2-15(20)14-9-18-3-4-19-14/h3-4,6-9,15H,1-2,5,10H2
InChIKeyPFQMGDWMBVADFA-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.09
Rot. Bonds3

About 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine

2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine (PubChem CID 110103097) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
PubChem CID110103097
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
SMILESFc1cc(F)cc(CN2CCCC2c2cnccn2)c1
InChIInChI=1S/C15H15F2N3/c16-12-6-11(7-13(17)8-12)10-20-5-1-2-15(20)14-9-18-3-4-19-14/h3-4,6-9,15H,1-2,5,10H2
InChIKeyPFQMGDWMBVADFA-UHFFFAOYSA-N
XLogP3.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124955216
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594
3-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 110103100
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124975748
2-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944247
2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944246
2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124961471
2-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]ethanol
CID 95842061
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine (CID 110103097) is 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine is Fc1cc(F)cc(CN2CCCC2c2cnccn2)c1.
What is the InChIKey of 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The InChIKey is PFQMGDWMBVADFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c16-12-6-11(7-13(17)8-12)10-20-5-1-2-15(20)14-9-18-3-4-19-14/h3-4,6-9,15H,1-2,5,10H2.
What are the key properties of 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine has a molecular weight of 275.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 110103097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).