3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine

C19H21N3O2S — CID 121188695

IUPAC3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
SMILESCn1ccc(C2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)n1
InChIInChI=1S/C19H21N3O2S/c1-21-13-11-18(20-21)16-8-5-12-22(14-16)25(23,24)19-10-4-7-15-6-2-3-9-17(15)19/h2-4,6-7,9-11,13,16H,5,8,12,14H2,1H3
InChIKeyHAOGJZUUWXXKFQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.14
Rot. Bonds3

About 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine

3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 121188695) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID121188695
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
SMILESCn1ccc(C2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)n1
InChIInChI=1S/C19H21N3O2S/c1-21-13-11-18(20-21)16-8-5-12-22(14-16)25(23,24)19-10-4-7-15-6-2-3-9-17(15)19/h2-4,6-7,9-11,13,16H,5,8,12,14H2,1H3
InChIKeyHAOGJZUUWXXKFQ-UHFFFAOYSA-N
XLogP3.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 129357113
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 121188649
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
3-methyl-5-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 129357707
3-(4-fluorophenyl)-5-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 3225886
3-(4-chlorophenyl)-5-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 42761070

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine (CID 121188695) is 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine is Cn1ccc(C2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is HAOGJZUUWXXKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-21-13-11-18(20-21)16-8-5-12-22(14-16)25(23,24)19-10-4-7-15-6-2-3-9-17(15)19/h2-4,6-7,9-11,13,16H,5,8,12,14H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine?
3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine has a molecular weight of 355.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 121188695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).