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

C20H17N3O3S — CID 11440364

IUPAC2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-16-9-5-15(6-10-16)20-19(18-4-3-13-21-23(18)22-20)14-7-11-17(12-8-14)27(2,24)25/h3-13H,1-2H3
InChIKeyANTSWWWZZVXJCU-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.48
Rot. Bonds4

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

2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (PubChem CID 11440364) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
PubChem CID11440364
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-16-9-5-15(6-10-16)20-19(18-4-3-13-21-23(18)22-20)14-7-11-17(12-8-14)27(2,24)25/h3-13H,1-2H3
InChIKeyANTSWWWZZVXJCU-UHFFFAOYSA-N
XLogP3.48
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (CID 11440364) is 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is COc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The InChIKey is ANTSWWWZZVXJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-16-9-5-15(6-10-16)20-19(18-4-3-13-21-23(18)22-20)14-7-11-17(12-8-14)27(2,24)25/h3-13H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine has a molecular weight of 379.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 11440364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).