N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide

C8H16N4O2S — CID 106125806

IUPACN-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
SMILESCC(N)CCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-7(9)3-2-5-11-15(13,14)8-4-6-10-12-8/h4,6-7,11H,2-3,5,9H2,1H3,(H,10,12)
InChIKeyJUJZZRLMKFHPJX-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.18
Rot. Bonds6

About N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide

N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106125806) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
PubChem CID106125806
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
SMILESCC(N)CCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-7(9)3-2-5-11-15(13,14)8-4-6-10-12-8/h4,6-7,11H,2-3,5,9H2,1H3,(H,10,12)
InChIKeyJUJZZRLMKFHPJX-UHFFFAOYSA-N
XLogP-0.18
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.18
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

N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
CID 102694126
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
N-(4-aminopentyl)benzenesulfonamide
CID 106125730

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide (CID 106125806) is N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide is CC(N)CCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JUJZZRLMKFHPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-7(9)3-2-5-11-15(13,14)8-4-6-10-12-8/h4,6-7,11H,2-3,5,9H2,1H3,(H,10,12).
What are the key properties of N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide?
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106125806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).