3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide

C15H22N4O3S — CID 42284241

IUPAC3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C15H22N4O3S/c1-15(2,3)14-12(10-19(16-14)11-6-4-5-7-11)23(20,21)18-13-8-9-22-17-13/h8-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyPOTCPQWLBQKUOI-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.08
Rot. Bonds4

About 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide

3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 42284241) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide
PubChem CID42284241
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C15H22N4O3S/c1-15(2,3)14-12(10-19(16-14)11-6-4-5-7-11)23(20,21)18-13-8-9-22-17-13/h8-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyPOTCPQWLBQKUOI-UHFFFAOYSA-N
XLogP3.08
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
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-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 42284222
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136
3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
CID 42284080
2-(3-tert-butyl-1-cyclopentylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 42284057
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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide (CID 42284241) is 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide is CC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccon1.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is POTCPQWLBQKUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-15(2,3)14-12(10-19(16-14)11-6-4-5-7-11)23(20,21)18-13-8-9-22-17-13/h8-11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide?
3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).