3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine

C19H21N3O2S — CID 45210624

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H21N3O2S/c1-14-12-20-21-19(14)17-7-4-10-22(13-17)25(23,24)18-9-8-15-5-2-3-6-16(15)11-18/h2-3,5-6,8-9,11-12,17H,4,7,10,13H2,1H3,(H,20,21)
InChIKeyBTBSTQHWEYUUIB-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine

3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine (PubChem CID 45210624) 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-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine
PubChem CID45210624
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H21N3O2S/c1-14-12-20-21-19(14)17-7-4-10-22(13-17)25(23,24)18-9-8-15-5-2-3-6-16(15)11-18/h2-3,5-6,8-9,11-12,17H,4,7,10,13H2,1H3,(H,20,21)
InChIKeyBTBSTQHWEYUUIB-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-2-ylsulfonylpiperidine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine (CID 45210624) is 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine is Cc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine?
The InChIKey is BTBSTQHWEYUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-12-20-21-19(14)17-7-4-10-22(13-17)25(23,24)18-9-8-15-5-2-3-6-16(15)11-18/h2-3,5-6,8-9,11-12,17H,4,7,10,13H2,1H3,(H,20,21).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine?
3-(4-methyl-1H-pyrazol-5-yl)-1-naphthalen-2-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-2-ylsulfonylpiperidine is sourced from PubChem (CID 45210624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).