6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one

C11H8FN3O — CID 175939538

IUPAC6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one
SMILESCc1cnn2c1c(=O)[nH]c1c(F)cccc12
InChIInChI=1S/C11H8FN3O/c1-6-5-13-15-8-4-2-3-7(12)9(8)14-11(16)10(6)15/h2-5H,1H3,(H,14,16)
InChIKeyKXRVLOVVMZVHHH-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.62
Rot. Bonds

About 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one

6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 175939538) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one
PubChem CID175939538
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one
SMILESCc1cnn2c1c(=O)[nH]c1c(F)cccc12
InChIInChI=1S/C11H8FN3O/c1-6-5-13-15-8-4-2-3-7(12)9(8)14-11(16)10(6)15/h2-5H,1H3,(H,14,16)
InChIKeyKXRVLOVVMZVHHH-UHFFFAOYSA-N
XLogP1.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one (CID 175939538) is 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one is Cc1cnn2c1c(=O)[nH]c1c(F)cccc12.
What is the InChIKey of 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is KXRVLOVVMZVHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c1-6-5-13-15-8-4-2-3-7(12)9(8)14-11(16)10(6)15/h2-5H,1H3,(H,14,16).
What are the key properties of 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 217.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 175939538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).