3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

C22H28N6O3S — CID 122339376

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1C
InChIInChI=1S/C22H28N6O3S/c1-5-31-20-7-6-19(14-16(20)2)32(29,30)27-12-10-26(11-13-27)21-8-9-22(24-23-21)28-18(4)15-17(3)25-28/h6-9,14-15H,5,10-13H2,1-4H3
InChIKeyRZAYQQYMKMDCTO-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.50
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122339376) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID122339376
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1C
InChIInChI=1S/C22H28N6O3S/c1-5-31-20-7-6-19(14-16(20)2)32(29,30)27-12-10-26(11-13-27)21-8-9-22(24-23-21)28-18(4)15-17(3)25-28/h6-9,14-15H,5,10-13H2,1-4H3
InChIKeyRZAYQQYMKMDCTO-UHFFFAOYSA-N
XLogP2.50
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347520
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 122340750
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122339407
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339882
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122339408
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344594
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazine
CID 122339379
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 122339376) is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1C.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is RZAYQQYMKMDCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-5-31-20-7-6-19(14-16(20)2)32(29,30)27-12-10-26(11-13-27)21-8-9-22(24-23-21)28-18(4)15-17(3)25-28/h6-9,14-15H,5,10-13H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 456.57 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122339376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).