3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

C19H22N6O2S — CID 56921399

IUPAC3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C19H22N6O2S/c1-15-3-5-17(6-4-15)28(26,27)24-13-11-23(12-14-24)18-7-8-19(21-20-18)25-10-9-16(2)22-25/h3-10H,11-14H2,1-2H3
InChIKeyDBEWXFSUOHWSCE-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.79
Rot. Bonds4

About 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (PubChem CID 56921399) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
PubChem CID56921399
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C19H22N6O2S/c1-15-3-5-17(6-4-15)28(26,27)24-13-11-23(12-14-24)18-7-8-19(21-20-18)25-10-9-16(2)22-25/h3-10H,11-14H2,1-2H3
InChIKeyDBEWXFSUOHWSCE-UHFFFAOYSA-N
XLogP1.79
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
CID 122346049
3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346060
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346010
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539689
4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920545
2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
N-[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122346057
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122346052

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (CID 56921399) is 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The InChIKey is DBEWXFSUOHWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-15-3-5-17(6-4-15)28(26,27)24-13-11-23(12-14-24)18-7-8-19(21-20-18)25-10-9-16(2)22-25/h3-10H,11-14H2,1-2H3.
What are the key properties of 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine has a molecular weight of 398.49 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 56921399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).