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

C20H15F2N3O3S — CID 11464150

IUPAC2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)F)cc3)nn3ncccc23)cc1
InChIInChI=1S/C20H15F2N3O3S/c1-29(26,27)16-10-6-13(7-11-16)18-17-3-2-12-23-25(17)24-19(18)14-4-8-15(9-5-14)28-20(21)22/h2-12,20H,1H3
InChIKeyAQMPAZWRRHKSOF-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.07
Rot. Bonds5

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

2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (PubChem CID 11464150) has the molecular formula C20H15F2N3O3S and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
PubChem CID11464150
Molecular FormulaC20H15F2N3O3S
Molecular Weight415.42 g/mol
Exact Mass415.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)F)cc3)nn3ncccc23)cc1
InChIInChI=1S/C20H15F2N3O3S/c1-29(26,27)16-10-6-13(7-11-16)18-17-3-2-12-23-25(17)24-19(18)14-4-8-15(9-5-14)28-20(21)22/h2-12,20H,1H3
InChIKeyAQMPAZWRRHKSOF-UHFFFAOYSA-N
XLogP4.07
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (CID 11464150) is 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is CS(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)F)cc3)nn3ncccc23)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The InChIKey is AQMPAZWRRHKSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3S/c1-29(26,27)16-10-6-13(7-11-16)18-17-3-2-12-23-25(17)24-19(18)14-4-8-15(9-5-14)28-20(21)22/h2-12,20H,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine has a molecular weight of 415.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 11464150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).