5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one

C18H13F3N2O — CID 59842424

IUPAC5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one
SMILESCc1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N2O/c1-11-10-22-17(24)16(23-11)13-6-4-5-12(9-13)14-7-2-3-8-15(14)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeyQCYDECTYOLOOJF-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.43
Rot. Bonds2

About 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one

5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one (PubChem CID 59842424) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one
PubChem CID59842424
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one
SMILESCc1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N2O/c1-11-10-22-17(24)16(23-11)13-6-4-5-12(9-13)14-7-2-3-8-15(14)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeyQCYDECTYOLOOJF-UHFFFAOYSA-N
XLogP4.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one?
The IUPAC name of 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one (CID 59842424) is 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one is Cc1c[nH]c(=O)c(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.
What is the InChIKey of 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one?
The InChIKey is QCYDECTYOLOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-11-10-22-17(24)16(23-11)13-6-4-5-12(9-13)14-7-2-3-8-15(14)18(19,20)21/h2-10H,1H3,(H,22,24).
What are the key properties of 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one?
5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one has a molecular weight of 330.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 59842424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).