1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone

C15H12FN3O — CID 11402953

IUPAC1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(F)cc2)nn2nc(C)ccc12
InChIInChI=1S/C15H12FN3O/c1-9-3-8-13-14(10(2)20)15(18-19(13)17-9)11-4-6-12(16)7-5-11/h3-8H,1-2H3
InChIKeyGWRNFHZGSCHILW-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.05
Rot. Bonds2

About 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone

1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone (PubChem CID 11402953) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone
PubChem CID11402953
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(F)cc2)nn2nc(C)ccc12
InChIInChI=1S/C15H12FN3O/c1-9-3-8-13-14(10(2)20)15(18-19(13)17-9)11-4-6-12(16)7-5-11/h3-8H,1-2H3
InChIKeyGWRNFHZGSCHILW-UHFFFAOYSA-N
XLogP3.05
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone (CID 11402953) is 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone is CC(=O)c1c(-c2ccc(F)cc2)nn2nc(C)ccc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The InChIKey is GWRNFHZGSCHILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-3-8-13-14(10(2)20)15(18-19(13)17-9)11-4-6-12(16)7-5-11/h3-8H,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone?
1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone has a molecular weight of 269.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]ethanone is sourced from PubChem (CID 11402953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).