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

C19H26FN3O2S — CID 42284222

IUPAC3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)cc1F
InChIInChI=1S/C19H26FN3O2S/c1-13-9-10-14(11-16(13)20)22-26(24,25)17-12-23(15-7-5-6-8-15)21-18(17)19(2,3)4/h9-12,15,22H,5-8H2,1-4H3
InChIKeyOAPBVZWECGZYKH-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.54
Rot. Bonds4

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

3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 42284222) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
PubChem CID42284222
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC Name3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)cc1F
InChIInChI=1S/C19H26FN3O2S/c1-13-9-10-14(11-16(13)20)22-26(24,25)17-12-23(15-7-5-6-8-15)21-18(17)19(2,3)4/h9-12,15,22H,5-8H2,1-4H3
InChIKeyOAPBVZWECGZYKH-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.54
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
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
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-(2,3-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284198
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
CID 42284080
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
1-benzyl-3-tert-butyl-N-(3,4-difluorophenyl)pyrazole-4-sulfonamide
CID 42284485

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide (CID 42284222) is 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)cc1F.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is OAPBVZWECGZYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-13-9-10-14(11-16(13)20)22-26(24,25)17-12-23(15-7-5-6-8-15)21-18(17)19(2,3)4/h9-12,15,22H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide?
3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 379.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).