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

C16H29N3O3S — CID 42284080

IUPAC3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3O3S/c1-16(2,3)15-14(23(20,21)17-10-7-11-22-4)12-19(18-15)13-8-5-6-9-13/h12-13,17H,5-11H2,1-4H3
InChIKeyHZFGUIQDYCRBCQ-UHFFFAOYSA-N
MW343.49 g/mol
LogP2.61
Rot. Bonds7

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

3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide (PubChem CID 42284080) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
PubChem CID42284080
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3O3S/c1-16(2,3)15-14(23(20,21)17-10-7-11-22-4)12-19(18-15)13-8-5-6-9-13/h12-13,17H,5-11H2,1-4H3
InChIKeyHZFGUIQDYCRBCQ-UHFFFAOYSA-N
XLogP2.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188
N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
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-(2,3-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284198
3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42284010
1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42282672
3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 42284014

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide (CID 42284080) is 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide is COCCCNS(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
The InChIKey is HZFGUIQDYCRBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-16(2,3)15-14(23(20,21)17-10-7-11-22-4)12-19(18-15)13-8-5-6-9-13/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide has a molecular weight of 343.49 g/mol, XLogP of 2.61, 7 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-(3-methoxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).