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

C20H23ClN6O2S — CID 122339361

IUPAC3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)nn2)n1
InChIInChI=1S/C20H23ClN6O2S/c1-14-13-15(2)27(24-14)20-8-7-19(22-23-20)25-9-11-26(12-10-25)30(28,29)18-6-4-5-17(21)16(18)3/h4-8,13H,9-12H2,1-3H3
InChIKeyGHYMKHXGOGBRKR-UHFFFAOYSA-N
MW446.96 g/mol
LogP2.75
Rot. Bonds4

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

3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 122339361) has the molecular formula C20H23ClN6O2S and a molecular weight of 446.96 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID122339361
Molecular FormulaC20H23ClN6O2S
Molecular Weight446.96 g/mol
Exact Mass446.13
IUPAC Name3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)nn2)n1
InChIInChI=1S/C20H23ClN6O2S/c1-14-13-15(2)27(24-14)20-8-7-19(22-23-20)25-9-11-26(12-10-25)30(28,29)18-6-4-5-17(21)16(18)3/h4-8,13H,9-12H2,1-3H3
InChIKeyGHYMKHXGOGBRKR-UHFFFAOYSA-N
XLogP2.75
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazine
CID 122339379
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 121058607
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
methyl 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122339369
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
6-[4-(3-chloro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 50789259
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122339407
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339376

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 122339361) is 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)nn2)n1.
What is the InChIKey of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is GHYMKHXGOGBRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2S/c1-14-13-15(2)27(24-14)20-8-7-19(22-23-20)25-9-11-26(12-10-25)30(28,29)18-6-4-5-17(21)16(18)3/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 446.96 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 122339361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).