3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide

C16H24N4O2S — CID 112985276

IUPAC3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H24N4O2S/c1-4-5-6-11-17-14-7-9-15(10-8-14)20-23(21,22)16-12(2)18-19-13(16)3/h7-10,17,20H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyCZLOZYANFWOYGR-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.43
Rot. Bonds8

About 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 112985276) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID112985276
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H24N4O2S/c1-4-5-6-11-17-14-7-9-15(10-8-14)20-23(21,22)16-12(2)18-19-13(16)3/h7-10,17,20H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyCZLOZYANFWOYGR-UHFFFAOYSA-N
XLogP3.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
3,5-dimethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]-1H-pyrazole-4-sulfonamide
CID 112982208
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112983433
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 112505341
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide (CID 112985276) is 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is CZLOZYANFWOYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-4-5-6-11-17-14-7-9-15(10-8-14)20-23(21,22)16-12(2)18-19-13(16)3/h7-10,17,20H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112985276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).