3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide

C11H19F3N4O2S — CID 115515192

IUPAC3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCCC(F)(F)F)c(N)n1
InChIInChI=1S/C11H19F3N4O2S/c1-2-7-18-8-9(10(15)17-18)21(19,20)16-6-4-3-5-11(12,13)14/h8,16H,2-7H2,1H3,(H2,15,17)
InChIKeyPWWUSKDTZZYHJF-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.89
Rot. Bonds8

About 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide

3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide (PubChem CID 115515192) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
PubChem CID115515192
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC Name3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCCC(F)(F)F)c(N)n1
InChIInChI=1S/C11H19F3N4O2S/c1-2-7-18-8-9(10(15)17-18)21(19,20)16-6-4-3-5-11(12,13)14/h8,16H,2-7H2,1H3,(H2,15,17)
InChIKeyPWWUSKDTZZYHJF-UHFFFAOYSA-N
XLogP1.89
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 80683751
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814018
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide (CID 115515192) is 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCCCC(F)(F)F)c(N)n1.
What is the InChIKey of 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
The InChIKey is PWWUSKDTZZYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-2-7-18-8-9(10(15)17-18)21(19,20)16-6-4-3-5-11(12,13)14/h8,16H,2-7H2,1H3,(H2,15,17).
What are the key properties of 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide has a molecular weight of 328.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 115515192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).