6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

C17H16F2N4O — CID 57432940

IUPAC6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(-c2c(F)cccc2F)cnc(-n2cccn2)c1=O
InChIInChI=1S/C17H16F2N4O/c1-11(2)10-22-14(15-12(18)5-3-6-13(15)19)9-20-16(17(22)24)23-8-4-7-21-23/h3-9,11H,10H2,1-2H3
InChIKeyJZLWCGAPVJCTOI-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.03
Rot. Bonds4

About 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 57432940) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID57432940
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(-c2c(F)cccc2F)cnc(-n2cccn2)c1=O
InChIInChI=1S/C17H16F2N4O/c1-11(2)10-22-14(15-12(18)5-3-6-13(15)19)9-20-16(17(22)24)23-8-4-7-21-23/h3-9,11H,10H2,1-2H3
InChIKeyJZLWCGAPVJCTOI-UHFFFAOYSA-N
XLogP3.03
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 57432940) is 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is CC(C)Cn1c(-c2c(F)cccc2F)cnc(-n2cccn2)c1=O.
What is the InChIKey of 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is JZLWCGAPVJCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-11(2)10-22-14(15-12(18)5-3-6-13(15)19)9-20-16(17(22)24)23-8-4-7-21-23/h3-9,11H,10H2,1-2H3.
What are the key properties of 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 330.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 57432940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).