N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide

C16H29N3O2S — CID 42284077

IUPACN,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3O2S/c1-15(2,3)14-13(22(20,21)18-16(4,5)6)11-19(17-14)12-9-7-8-10-12/h11-12,18H,7-10H2,1-6H3
InChIKeyUOEOPBZKAUCUKU-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.37
Rot. Bonds3

About N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide

N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide (PubChem CID 42284077) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
PubChem CID42284077
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC NameN,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3O2S/c1-15(2,3)14-13(22(20,21)18-16(4,5)6)11-19(17-14)12-9-7-8-10-12/h11-12,18H,7-10H2,1-6H3
InChIKeyUOEOPBZKAUCUKU-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide
CID 42284241
3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
CID 42284080
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
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
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-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 42284014
3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42284010
3-tert-butyl-1-cyclohexylpyrazole-4-carboxylic acid
CID 61270272

Frequently Asked Questions

What is the IUPAC name of N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
The IUPAC name of N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide (CID 42284077) is N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide.
What is the SMILES notation for N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
The canonical SMILES for N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide is CC(C)(C)NS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C.
What is the InChIKey of N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
The InChIKey is UOEOPBZKAUCUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-15(2,3)14-13(22(20,21)18-16(4,5)6)11-19(17-14)12-9-7-8-10-12/h11-12,18H,7-10H2,1-6H3.
What are the key properties of N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide has a molecular weight of 327.49 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).