3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine

C19H21N3O2S — CID 45211413

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O2S/c1-14-12-20-21-19(14)16-8-5-11-22(13-16)25(23,24)18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,20,21)
InChIKeyFXXLQINLBIYCQJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine

3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 45211413) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID45211413
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O2S/c1-14-12-20-21-19(14)16-8-5-11-22(13-16)25(23,24)18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,20,21)
InChIKeyFXXLQINLBIYCQJ-UHFFFAOYSA-N
XLogP3.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine (CID 45211413) is 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine is Cc1cn[nH]c1C1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is FXXLQINLBIYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-12-20-21-19(14)16-8-5-11-22(13-16)25(23,24)18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,20,21).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine?
3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine has a molecular weight of 355.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 45211413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).