5-amino-N-butyl-1-propylpyrazole-4-sulfonamide

C10H20N4O2S — CID 82459881

IUPAC5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cnn(CCC)c1N
InChIInChI=1S/C10H20N4O2S/c1-3-5-6-13-17(15,16)9-8-12-14(7-4-2)10(9)11/h8,13H,3-7,11H2,1-2H3
InChIKeyZFBWYXCVEWCNKA-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.95
Rot. Bonds7

About 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide

5-amino-N-butyl-1-propylpyrazole-4-sulfonamide (PubChem CID 82459881) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
PubChem CID82459881
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cnn(CCC)c1N
InChIInChI=1S/C10H20N4O2S/c1-3-5-6-13-17(15,16)9-8-12-14(7-4-2)10(9)11/h8,13H,3-7,11H2,1-2H3
InChIKeyZFBWYXCVEWCNKA-UHFFFAOYSA-N
XLogP0.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.95
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

5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
CID 82459893
5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
CID 82459873
5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 82459830
5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide
CID 82459894
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
5-amino-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 82459771
5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 82459797
5-amino-N-butyl-1,3-dimethylpyrazole-4-sulfonamide
CID 82460005
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19681729
2-amino-5-nitro-N-pentylpyridine-4-sulfonamide
CID 67636553
4-amino-N-butyl-1-propylpyrazole-5-carboxamide
CID 132586632

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide (CID 82459881) is 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide is CCCCNS(=O)(=O)c1cnn(CCC)c1N.
What is the InChIKey of 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is ZFBWYXCVEWCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-5-6-13-17(15,16)9-8-12-14(7-4-2)10(9)11/h8,13H,3-7,11H2,1-2H3.
What are the key properties of 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide?
5-amino-N-butyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).