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

C20H29N3O3S — CID 42284188

IUPAC3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)cc1
InChIInChI=1S/C20H29N3O3S/c1-5-26-17-12-10-15(11-13-17)22-27(24,25)18-14-23(16-8-6-7-9-16)21-19(18)20(2,3)4/h10-14,16,22H,5-9H2,1-4H3
InChIKeyQKVGSBDNLNENOI-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.50
Rot. Bonds6

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

3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide (PubChem CID 42284188) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
PubChem CID42284188
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)cc1
InChIInChI=1S/C20H29N3O3S/c1-5-26-17-12-10-15(11-13-17)22-27(24,25)18-14-23(16-8-6-7-9-16)21-19(18)20(2,3)4/h10-14,16,22H,5-9H2,1-4H3
InChIKeyQKVGSBDNLNENOI-UHFFFAOYSA-N
XLogP4.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 42284222
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide
CID 42284241
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline
CID 19626044
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 122168086

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide (CID 42284188) is 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)cc1.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is QKVGSBDNLNENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-5-26-17-12-10-15(11-13-17)22-27(24,25)18-14-23(16-8-6-7-9-16)21-19(18)20(2,3)4/h10-14,16,22H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide?
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 391.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).