2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one

C19H14FN3O3S — CID 22562342

IUPAC2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nn3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C19H14FN3O3S/c1-27(25,26)15-8-4-12(5-9-15)18-16-10-11-17(24)21-23(16)22-19(18)13-2-6-14(20)7-3-13/h2-11H,1H3,(H,21,24)
InChIKeyUPJGTZLTCAAVID-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one

2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one (PubChem CID 22562342) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
PubChem CID22562342
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nn3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C19H14FN3O3S/c1-27(25,26)15-8-4-12(5-9-15)18-16-10-11-17(24)21-23(16)22-19(18)13-2-6-14(20)7-3-13/h2-11H,1H3,(H,21,24)
InChIKeyUPJGTZLTCAAVID-UHFFFAOYSA-N
XLogP2.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one (CID 22562342) is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one is CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nn3[nH]c(=O)ccc23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one?
The InChIKey is UPJGTZLTCAAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-27(25,26)15-8-4-12(5-9-15)18-16-10-11-17(24)21-23(16)22-19(18)13-2-6-14(20)7-3-13/h2-11H,1H3,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one?
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one has a molecular weight of 383.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one is sourced from PubChem (CID 22562342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).