3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine

C20H24N6O2S — CID 121034214

IUPAC3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4cc(C)cn4)nn3)CC2)c1
InChIInChI=1S/C20H24N6O2S/c1-15-4-5-17(3)18(12-15)29(27,28)25-10-8-24(9-11-25)19-6-7-20(23-22-19)26-14-16(2)13-21-26/h4-7,12-14H,8-11H2,1-3H3
InChIKeyZJTPKDYLMBSPHS-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.10
Rot. Bonds4

About 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine

3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine (PubChem CID 121034214) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine
PubChem CID121034214
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4cc(C)cn4)nn3)CC2)c1
InChIInChI=1S/C20H24N6O2S/c1-15-4-5-17(3)18(12-15)29(27,28)25-10-8-24(9-11-25)19-6-7-20(23-22-19)26-14-16(2)13-21-26/h4-7,12-14H,8-11H2,1-3H3
InChIKeyZJTPKDYLMBSPHS-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489
6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582332
1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 9111459
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537658
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 121064749
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,2,4-triazol-1-yl)pyridazine
CID 121145895
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine (CID 121034214) is 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4cc(C)cn4)nn3)CC2)c1.
What is the InChIKey of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine?
The InChIKey is ZJTPKDYLMBSPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-15-4-5-17(3)18(12-15)29(27,28)25-10-8-24(9-11-25)19-6-7-20(23-22-19)26-14-16(2)13-21-26/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine?
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine has a molecular weight of 412.52 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 121034214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).