3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine

C19H21N5O3S — CID 121163360

IUPAC3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cccn4)nn3)CC2)cc1
InChIInChI=1S/C19H21N5O3S/c1-15-3-5-17(6-4-15)28(25,26)23-13-9-16(10-14-23)27-19-8-7-18(21-22-19)24-12-2-11-20-24/h2-8,11-12,16H,9-10,13-14H2,1H3
InChIKeyJFDMKIDWQVYGSR-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.20
Rot. Bonds5

About 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine

3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine (PubChem CID 121163360) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
PubChem CID121163360
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cccn4)nn3)CC2)cc1
InChIInChI=1S/C19H21N5O3S/c1-15-3-5-17(6-4-15)28(25,26)23-13-9-16(10-14-23)27-19-8-7-18(21-22-19)24-12-2-11-20-24/h2-8,11-12,16H,9-10,13-14H2,1H3
InChIKeyJFDMKIDWQVYGSR-UHFFFAOYSA-N
XLogP2.20
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 121163402
3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 121163444
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163387
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163451
2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 172893544
3-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylmethyl]-1,2-benzoxazole
CID 121163472
2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121162979
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
N-propyl-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163347
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
(4-iodophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163196

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine (CID 121163360) is 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine is Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cccn4)nn3)CC2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The InChIKey is JFDMKIDWQVYGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-15-3-5-17(6-4-15)28(25,26)23-13-9-16(10-14-23)27-19-8-7-18(21-22-19)24-12-2-11-20-24/h2-8,11-12,16H,9-10,13-14H2,1H3.
What are the key properties of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine has a molecular weight of 399.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 121163360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).