pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C16H14F3N3O — CID 110669963

IUPACpyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)12-5-3-11(4-6-12)14-2-1-9-22(14)15(23)13-10-20-7-8-21-13/h3-8,10,14H,1-2,9H2
InChIKeyUSVGGZOUHSNOKW-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.47
Rot. Bonds2

About pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 110669963) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID110669963
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Namepyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)12-5-3-11(4-6-12)14-2-1-9-22(14)15(23)13-10-20-7-8-21-13/h3-8,10,14H,1-2,9H2
InChIKeyUSVGGZOUHSNOKW-UHFFFAOYSA-N
XLogP3.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
[2-[4-(3-chlorophenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 53379502
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 51253826
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2S)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 164798606
(3-ethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 118879502
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 110669963) is pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is O=C(c1cnccn1)N1CCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is USVGGZOUHSNOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)12-5-3-11(4-6-12)14-2-1-9-22(14)15(23)13-10-20-7-8-21-13/h3-8,10,14H,1-2,9H2.
What are the key properties of pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 321.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110669963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).