3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine

C18H23N7O3S — CID 121163444

IUPAC3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C18H23N7O3S/c1-13-18(14(2)23(3)22-13)29(26,27)24-11-7-15(8-12-24)28-17-6-5-16(20-21-17)25-10-4-9-19-25/h4-6,9-10,15H,7-8,11-12H2,1-3H3
InChIKeyWNKQPWQFZHCLBZ-UHFFFAOYSA-N
MW417.50 g/mol
LogP1.24
Rot. Bonds5

About 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine

3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine (PubChem CID 121163444) has the molecular formula C18H23N7O3S and a molecular weight of 417.50 g/mol. Its IUPAC name is 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine.

Molecular Properties

Compound Name3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine
PubChem CID121163444
Molecular FormulaC18H23N7O3S
Molecular Weight417.50 g/mol
Exact Mass417.16
IUPAC Name3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C18H23N7O3S/c1-13-18(14(2)23(3)22-13)29(26,27)24-11-7-15(8-12-24)28-17-6-5-16(20-21-17)25-10-4-9-19-25/h4-6,9-10,15H,7-8,11-12H2,1-3H3
InChIKeyWNKQPWQFZHCLBZ-UHFFFAOYSA-N
XLogP1.24
TPSA108.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163360
1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 121163402
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163387
4-(3,4-dichlorophenoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 72548614
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163451
1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one
CID 121156442
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
N-propyl-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163347
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
(4-iodophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163196
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine?
The IUPAC name of 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine (CID 121163444) is 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine.
What is the SMILES notation for 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine?
The canonical SMILES for 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine?
The InChIKey is WNKQPWQFZHCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3S/c1-13-18(14(2)23(3)22-13)29(26,27)24-11-7-15(8-12-24)28-17-6-5-16(20-21-17)25-10-4-9-19-25/h4-6,9-10,15H,7-8,11-12H2,1-3H3.
What are the key properties of 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine?
3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine has a molecular weight of 417.50 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine is sourced from PubChem (CID 121163444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).