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

C21H19N3O3S — CID 69330122

IUPAC2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCCOc1ccc(-c2cc3c(-c4ccc(S(C)(=O)=O)cc4)ccnn3n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-3-27-17-8-4-16(5-9-17)20-14-21-19(12-13-22-24(21)23-20)15-6-10-18(11-7-15)28(2,25)26/h4-14H,3H2,1-2H3
InChIKeyDVPDOJOZZQOITD-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.87
Rot. Bonds5

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

2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (PubChem CID 69330122) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
PubChem CID69330122
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
SMILESCCOc1ccc(-c2cc3c(-c4ccc(S(C)(=O)=O)cc4)ccnn3n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-3-27-17-8-4-16(5-9-17)20-14-21-19(12-13-22-24(21)23-20)15-6-10-18(11-7-15)28(2,25)26/h4-14H,3H2,1-2H3
InChIKeyDVPDOJOZZQOITD-UHFFFAOYSA-N
XLogP3.87
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo(1,5-b)pyridazine
CID 9832687
4-[2-(4-Ethoxy-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 11395292
3-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-phenyl)-pyrazolo[1,5-b]pyridazine
CID 11440364
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6-methoxy-pyrazolo[1,5-b]pyridazine
CID 22562341
4-[2-(4-Trifluoromethoxy-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395090
6-Ethoxy-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 44395118
4-[2-(4-Ethoxy-phenyl)-6-methylsulfanyl-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395142
4-[2-(4-Ethoxy-phenyl)-6-methanesulfonyl-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395152
3-(4-Methanesulfonyl-phenyl)-6-methoxy-2-p-tolyl-pyrazolo[1,5-b]pyridazine
CID 44395168
2-(4-Fluoro-phenyl)-6-isopropoxy-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 44395250
1-(Benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole
CID 2821368
3-fluoropropyl 4-{1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl}phenyl ether
CID 3805874

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine (CID 69330122) is 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is CCOc1ccc(-c2cc3c(-c4ccc(S(C)(=O)=O)cc4)ccnn3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
The InChIKey is DVPDOJOZZQOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-3-27-17-8-4-16(5-9-17)20-14-21-19(12-13-22-24(21)23-20)15-6-10-18(11-7-15)28(2,25)26/h4-14H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine?
2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine has a molecular weight of 393.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 69330122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).