2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid

C14H10FN3O2S — CID 22562346

IUPAC2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid
SMILESCSc1ccc2c(C(=O)O)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C14H10FN3O2S/c1-21-11-7-6-10-12(14(19)20)13(17-18(10)16-11)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,19,20)
InChIKeyVBZGZKCVGGUOGO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid

2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid (PubChem CID 22562346) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid
PubChem CID22562346
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid
SMILESCSc1ccc2c(C(=O)O)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C14H10FN3O2S/c1-21-11-7-6-10-12(14(19)20)13(17-18(10)16-11)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,19,20)
InChIKeyVBZGZKCVGGUOGO-UHFFFAOYSA-N
XLogP2.96
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid (CID 22562346) is 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid is CSc1ccc2c(C(=O)O)c(-c3ccc(F)cc3)nn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid?
The InChIKey is VBZGZKCVGGUOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c1-21-11-7-6-10-12(14(19)20)13(17-18(10)16-11)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid?
2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methylsulfanylpyrazolo[1,5-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 22562346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).