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

C27H29N3O2S2 — CID 42350976

IUPAC1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C27H29N3O2S2/c31-34(32,26-20-30(23-14-7-8-15-23)29-27(26)25-16-9-19-33-25)28-18-17-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,9-13,16,19-20,23-24,28H,7-8,14-15,17-18H2
InChIKeyLLAIXVOYJQKDKP-UHFFFAOYSA-N
MW491.68 g/mol
LogP6.23
Rot. Bonds9

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

1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350976) has the molecular formula C27H29N3O2S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350976
Molecular FormulaC27H29N3O2S2
Molecular Weight491.68 g/mol
Exact Mass491.17
IUPAC Name1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C27H29N3O2S2/c31-34(32,26-20-30(23-14-7-8-15-23)29-27(26)25-16-9-19-33-25)28-18-17-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,9-13,16,19-20,23-24,28H,7-8,14-15,17-18H2
InChIKeyLLAIXVOYJQKDKP-UHFFFAOYSA-N
XLogP6.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide
CID 42282720
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351188
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 42350649
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350976) is 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cn(C2CCCC2)nc1-c1cccs1.
What is the InChIKey of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is LLAIXVOYJQKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S2/c31-34(32,26-20-30(23-14-7-8-15-23)29-27(26)25-16-9-19-33-25)28-18-17-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,9-13,16,19-20,23-24,28H,7-8,14-15,17-18H2.
What are the key properties of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 491.68 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).