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

C14H10FN3O — CID 11265310

IUPAC1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(F)cc2)nn2ncccc12
InChIInChI=1S/C14H10FN3O/c1-9(19)13-12-3-2-8-16-18(12)17-14(13)10-4-6-11(15)7-5-10/h2-8H,1H3
InChIKeyMCVINSGCTQIJEG-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.74
Rot. Bonds2

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

1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone (PubChem CID 11265310) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone
PubChem CID11265310
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(F)cc2)nn2ncccc12
InChIInChI=1S/C14H10FN3O/c1-9(19)13-12-3-2-8-16-18(12)17-14(13)10-4-6-11(15)7-5-10/h2-8H,1H3
InChIKeyMCVINSGCTQIJEG-UHFFFAOYSA-N
XLogP2.74
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylcarbamothioylsulfanylmethyl)-3-oxo-3-(2-phenylpyrazolo[1,5-b]pyridazin-3-yl)propyl] N,N-dimethylcarbamodithioate
CID 73389033
1-{Pyrazolo[1,5-b]pyridazin-3-yl}ethan-1-one
CID 11389559
2-(4-Fluorophenyl)-3-acetylpyrazolo[1,5-a]pyridine
CID 17962417
1-[6-[3-(Trifluoromethyl)phenyl]pyridazin-4-yl]ethanone
CID 10849344
(5-Aminopyridazin-4-yl)(2-fluorophenyl)methanone
CID 13403092
(2-Fluorophenyl)(pyridazin-4-yl)methanone
CID 14360456
[2-(4-Fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-phenylmethanone
CID 134851224
[2-(4-Fluorophenyl)-4-methylpyrazolo[1,5-a]pyridin-3-yl]-phenylmethanone
CID 134851462
(5-Fluoro-2-indazol-1-ylphenyl)-(4-methylphenyl)methanone
CID 176436099
1-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-1-ethanone
CID 10704956
1-Phenyl-2-pyridazin-3-yl-ethanone
CID 12470857
Phenyl(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 14042957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone (CID 11265310) is 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone is CC(=O)c1c(-c2ccc(F)cc2)nn2ncccc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The InChIKey is MCVINSGCTQIJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9(19)13-12-3-2-8-16-18(12)17-14(13)10-4-6-11(15)7-5-10/h2-8H,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]ethanone has a molecular weight of 255.25 g/mol, XLogP of 2.74, 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)pyrazolo[1,5-b]pyridazin-3-yl]ethanone is sourced from PubChem (CID 11265310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).