3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

C19H20Cl2N6O2S — CID 112818291

IUPAC3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nn2)n1
InChIInChI=1S/C19H20Cl2N6O2S/c1-13-11-14(2)27(24-13)19-6-5-18(22-23-19)25-7-9-26(10-8-25)30(28,29)17-12-15(20)3-4-16(17)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYPPQBOIFKGDESI-UHFFFAOYSA-N
MW467.38 g/mol
LogP3.10
Rot. Bonds4

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

3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 112818291) has the molecular formula C19H20Cl2N6O2S and a molecular weight of 467.38 g/mol. Its IUPAC name is 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID112818291
Molecular FormulaC19H20Cl2N6O2S
Molecular Weight467.38 g/mol
Exact Mass466.07
IUPAC Name3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nn2)n1
InChIInChI=1S/C19H20Cl2N6O2S/c1-13-11-14(2)27(24-13)19-6-5-18(22-23-19)25-7-9-26(10-8-25)30(28,29)17-12-15(20)3-4-16(17)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYPPQBOIFKGDESI-UHFFFAOYSA-N
XLogP3.10
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339361
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazine
CID 122339379
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
methyl 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122339369
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 112818291) is 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nn2)n1.
What is the InChIKey of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is YPPQBOIFKGDESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2S/c1-13-11-14(2)27(24-13)19-6-5-18(22-23-19)25-7-9-26(10-8-25)30(28,29)17-12-15(20)3-4-16(17)21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 467.38 g/mol, XLogP of 3.10, 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-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 112818291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).