4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine

C18H25N3O3S — CID 90495592

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C18H25N3O3S/c1-14-12-15(2)21(19-14)13-16-8-10-20(11-9-16)25(22,23)18-7-5-4-6-17(18)24-3/h4-7,12,16H,8-11,13H2,1-3H3
InChIKeyKFGOYHFSRLFQSF-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.61
Rot. Bonds5

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine

4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine (PubChem CID 90495592) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine
PubChem CID90495592
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C18H25N3O3S/c1-14-12-15(2)21(19-14)13-16-8-10-20(11-9-16)25(22,23)18-7-5-4-6-17(18)24-3/h4-7,12,16H,8-11,13H2,1-3H3
InChIKeyKFGOYHFSRLFQSF-UHFFFAOYSA-N
XLogP2.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
1-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146022822
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine
CID 90495604
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
N-(2,4-dimethoxyphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 90495545
N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95834277
N-(3,4-dimethoxyphenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495459
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine (CID 90495592) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine is COc1ccccc1S(=O)(=O)N1CCC(Cn2nc(C)cc2C)CC1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine?
The InChIKey is KFGOYHFSRLFQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14-12-15(2)21(19-14)13-16-8-10-20(11-9-16)25(22,23)18-7-5-4-6-17(18)24-3/h4-7,12,16H,8-11,13H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine has a molecular weight of 363.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 90495592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).