3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide

C10H16N6O2S — CID 60809909

IUPAC3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCn2ccnc2)c(N)n1
InChIInChI=1S/C10H16N6O2S/c1-15-7-9(10(11)14-15)19(17,18)13-3-2-5-16-6-4-12-8-16/h4,6-8,13H,2-3,5H2,1H3,(H2,11,14)
InChIKeyYQGZOHILHMJYMW-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.43
Rot. Bonds6

About 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 60809909) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
PubChem CID60809909
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC Name3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCn2ccnc2)c(N)n1
InChIInChI=1S/C10H16N6O2S/c1-15-7-9(10(11)14-15)19(17,18)13-3-2-5-16-6-4-12-8-16/h4,6-8,13H,2-3,5H2,1H3,(H2,11,14)
InChIKeyYQGZOHILHMJYMW-UHFFFAOYSA-N
XLogP-0.43
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide (CID 60809909) is 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCCn2ccnc2)c(N)n1.
What is the InChIKey of 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is YQGZOHILHMJYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-15-7-9(10(11)14-15)19(17,18)13-3-2-5-16-6-4-12-8-16/h4,6-8,13H,2-3,5H2,1H3,(H2,11,14).
What are the key properties of 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60809909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).