1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine

C16H21N3O2S — CID 110871203

IUPAC1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(n3cccn3)CC2)c1
InChIInChI=1S/C16H21N3O2S/c1-13-4-5-14(2)16(12-13)22(20,21)18-10-6-15(7-11-18)19-9-3-8-17-19/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3
InChIKeyJJTYSLWZINAYRI-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.53
Rot. Bonds3

About 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine

1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine (PubChem CID 110871203) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
PubChem CID110871203
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(n3cccn3)CC2)c1
InChIInChI=1S/C16H21N3O2S/c1-13-4-5-14(2)16(12-13)22(20,21)18-10-6-15(7-11-18)19-9-3-8-17-19/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3
InChIKeyJJTYSLWZINAYRI-UHFFFAOYSA-N
XLogP2.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871238
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
CID 110871226
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522191
1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941143
4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892518
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 48737522
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine (CID 110871203) is 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine is Cc1ccc(C)c(S(=O)(=O)N2CCC(n3cccn3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The InChIKey is JJTYSLWZINAYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-13-4-5-14(2)16(12-13)22(20,21)18-10-6-15(7-11-18)19-9-3-8-17-19/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine has a molecular weight of 319.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 110871203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).