3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine

C16H24N6O2S — CID 121034232

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1
InChIInChI=1S/C16H24N6O2S/c1-4-11-25(23,24)21-9-7-20(8-10-21)15-5-6-16(18-17-15)22-14(3)12-13(2)19-22/h5-6,12H,4,7-11H2,1-3H3
InChIKeyYYWSGEGHEHJNOJ-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.14
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine (PubChem CID 121034232) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
PubChem CID121034232
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1
InChIInChI=1S/C16H24N6O2S/c1-4-11-25(23,24)21-9-7-20(8-10-21)15-5-6-16(18-17-15)22-14(3)12-13(2)19-22/h5-6,12H,4,7-11H2,1-3H3
InChIKeyYYWSGEGHEHJNOJ-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine (CID 121034232) is 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine is CCCS(=O)(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine?
The InChIKey is YYWSGEGHEHJNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-4-11-25(23,24)21-9-7-20(8-10-21)15-5-6-16(18-17-15)22-14(3)12-13(2)19-22/h5-6,12H,4,7-11H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine has a molecular weight of 364.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 121034232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).