4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine

C19H21N3O2S2 — CID 42351856

IUPAC4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C19H21N3O2S2/c1-15-9-11-21(12-10-15)26(23,24)18-14-22(16-6-3-2-4-7-16)20-19(18)17-8-5-13-25-17/h2-8,13-15H,9-12H2,1H3
InChIKeyJWIMJGZMBDJVKX-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.02
Rot. Bonds4

About 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine

4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 42351856) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
PubChem CID42351856
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C19H21N3O2S2/c1-15-9-11-21(12-10-15)26(23,24)18-14-22(16-6-3-2-4-7-16)20-19(18)17-8-5-13-25-17/h2-8,13-15H,9-12H2,1H3
InChIKeyJWIMJGZMBDJVKX-UHFFFAOYSA-N
XLogP4.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42351890
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42284583
1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42352164
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 42350649
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
N-benzyl-1-phenyl-N-(2-phenylethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351837
N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352230
N-(2,5-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352236

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine (CID 42351856) is 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine is CC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1.
What is the InChIKey of 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is JWIMJGZMBDJVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-15-9-11-21(12-10-15)26(23,24)18-14-22(16-6-3-2-4-7-16)20-19(18)17-8-5-13-25-17/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine?
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 387.53 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 42351856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).