N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C8H16N4O2S — CID 28754128

IUPACN-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCCN
InChIInChI=1S/C8H16N4O2S/c1-6-8(7(2)12-11-6)15(13,14)10-5-3-4-9/h10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyYXWVSJPSLJSIKL-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.35
Rot. Bonds5

About N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 28754128) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID28754128
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCCN
InChIInChI=1S/C8H16N4O2S/c1-6-8(7(2)12-11-6)15(13,14)10-5-3-4-9/h10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyYXWVSJPSLJSIKL-UHFFFAOYSA-N
XLogP-0.35
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.35
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 28754128) is N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YXWVSJPSLJSIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-6-8(7(2)12-11-6)15(13,14)10-5-3-4-9/h10H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 28754128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).