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

C18H25N3O3S — CID 42284183

IUPAC3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H25N3O3S/c1-18(2,3)17-16(12-21(19-17)14-6-4-5-7-14)25(23,24)20-13-8-10-15(22)11-9-13/h8-12,14,20,22H,4-7H2,1-3H3
InChIKeyUUYGRSOAMKVUCT-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.80
Rot. Bonds4

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

3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide (PubChem CID 42284183) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
PubChem CID42284183
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H25N3O3S/c1-18(2,3)17-16(12-21(19-17)14-6-4-5-7-14)25(23,24)20-13-8-10-15(22)11-9-13/h8-12,14,20,22H,4-7H2,1-3H3
InChIKeyUUYGRSOAMKVUCT-UHFFFAOYSA-N
XLogP3.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188
3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 42284222
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-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
3-tert-butyl-1-cyclopentyl-N-(2,3-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284198
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42282842
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 42284988
3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
CID 42284080

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide (CID 42284183) is 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide is CC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is UUYGRSOAMKVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-18(2,3)17-16(12-21(19-17)14-6-4-5-7-14)25(23,24)20-13-8-10-15(22)11-9-13/h8-12,14,20,22H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide?
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).