1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C16H23N3O2S2 — CID 42350772

IUPAC1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C16H23N3O2S2/c1-12(2)10-17-23(20,21)15-11-19(13-6-3-4-7-13)18-16(15)14-8-5-9-22-14/h5,8-9,11-13,17H,3-4,6-7,10H2,1-2H3
InChIKeyWASAGQLGHTWEAB-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.66
Rot. Bonds6

About 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350772) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350772
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC Name1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C16H23N3O2S2/c1-12(2)10-17-23(20,21)15-11-19(13-6-3-4-7-13)18-16(15)14-8-5-9-22-14/h5,8-9,11-13,17H,3-4,6-7,10H2,1-2H3
InChIKeyWASAGQLGHTWEAB-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351188
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 42350649
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350772) is 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)CNS(=O)(=O)c1cn(C2CCCC2)nc1-c1cccs1.
What is the InChIKey of 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is WASAGQLGHTWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-12(2)10-17-23(20,21)15-11-19(13-6-3-4-7-13)18-16(15)14-8-5-9-22-14/h5,8-9,11-13,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 353.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).