3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine

C19H15N3O2S — CID 11725371

IUPAC3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3ncccc23)cc1
InChIInChI=1S/C19H15N3O2S/c1-25(23,24)16-11-9-14(10-12-16)18-17-8-5-13-20-22(17)21-19(18)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyCUSHWDQBJKSQCC-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.47
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine

3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine (PubChem CID 11725371) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine
PubChem CID11725371
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3ncccc23)cc1
InChIInChI=1S/C19H15N3O2S/c1-25(23,24)16-11-9-14(10-12-16)18-17-8-5-13-20-22(17)21-19(18)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyCUSHWDQBJKSQCC-UHFFFAOYSA-N
XLogP3.47
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine (CID 11725371) is 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine is CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3ncccc23)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine?
The InChIKey is CUSHWDQBJKSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-25(23,24)16-11-9-14(10-12-16)18-17-8-5-13-20-22(17)21-19(18)15-6-3-2-4-7-15/h2-13H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine?
3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine has a molecular weight of 349.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 11725371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).