N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide

C9H13N5O2S — CID 54937214

IUPACN-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1cn[nH]c1
InChIInChI=1S/C9H13N5O2S/c15-17(16,9-6-11-12-7-9)13-2-1-4-14-5-3-10-8-14/h3,5-8,13H,1-2,4H2,(H,11,12)
InChIKeyCYKJEEODHJPSHS-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.03
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide

N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54937214) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID54937214
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1cn[nH]c1
InChIInChI=1S/C9H13N5O2S/c15-17(16,9-6-11-12-7-9)13-2-1-4-14-5-3-10-8-14/h3,5-8,13H,1-2,4H2,(H,11,12)
InChIKeyCYKJEEODHJPSHS-UHFFFAOYSA-N
XLogP-0.03
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide (CID 54937214) is N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCCn1ccnc1)c1cn[nH]c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CYKJEEODHJPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c15-17(16,9-6-11-12-7-9)13-2-1-4-14-5-3-10-8-14/h3,5-8,13H,1-2,4H2,(H,11,12).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).