3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide

C20H29N3O2S — CID 42284167

IUPAC3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-5-15-10-6-9-13-17(15)22-26(24,25)18-14-23(16-11-7-8-12-16)21-19(18)20(2,3)4/h6,9-10,13-14,16,22H,5,7-8,11-12H2,1-4H3
InChIKeyRDPDUFXVYNIAQI-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.66
Rot. Bonds5

About 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide

3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide (PubChem CID 42284167) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
PubChem CID42284167
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-5-15-10-6-9-13-17(15)22-26(24,25)18-14-23(16-11-7-8-12-16)21-19(18)20(2,3)4/h6,9-10,13-14,16,22H,5,7-8,11-12H2,1-4H3
InChIKeyRDPDUFXVYNIAQI-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-cyclopentyl-N-(2,3-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284198
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide
CID 42284241
3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 42284222
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-(3-tert-butyl-1-cyclopentylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 42284057
N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
CID 42284005
3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42284010

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide (CID 42284167) is 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide?
The InChIKey is RDPDUFXVYNIAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-5-15-10-6-9-13-17(15)22-26(24,25)18-14-23(16-11-7-8-12-16)21-19(18)20(2,3)4/h6,9-10,13-14,16,22H,5,7-8,11-12H2,1-4H3.
What are the key properties of 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide?
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide has a molecular weight of 375.54 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).