6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

C18H18F2N4O — CID 69069202

IUPAC6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCc1nc(-n2cccn2)c(=O)n(CC(C)C)c1-c1c(F)cccc1F
InChIInChI=1S/C18H18F2N4O/c1-11(2)10-23-16(15-13(19)6-4-7-14(15)20)12(3)22-17(18(23)25)24-9-5-8-21-24/h4-9,11H,10H2,1-3H3
InChIKeyPELLMDROAXXWSV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.34
Rot. Bonds4

About 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 69069202) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID69069202
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCc1nc(-n2cccn2)c(=O)n(CC(C)C)c1-c1c(F)cccc1F
InChIInChI=1S/C18H18F2N4O/c1-11(2)10-23-16(15-13(19)6-4-7-14(15)20)12(3)22-17(18(23)25)24-9-5-8-21-24/h4-9,11H,10H2,1-3H3
InChIKeyPELLMDROAXXWSV-UHFFFAOYSA-N
XLogP3.34
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.34
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)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 69069202) is 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is Cc1nc(-n2cccn2)c(=O)n(CC(C)C)c1-c1c(F)cccc1F.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is PELLMDROAXXWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-11(2)10-23-16(15-13(19)6-4-7-14(15)20)12(3)22-17(18(23)25)24-9-5-8-21-24/h4-9,11H,10H2,1-3H3.
What are the key properties of 6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
6-(2,6-difluorophenyl)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 344.37 g/mol, XLogP of 3.34, 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)-5-methyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 69069202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).