N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide

C10H19N3O3S — CID 42282214

IUPACN-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C10H19N3O3S/c1-4-16-7-5-6-11-17(14,15)10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyYDJREROBJFBPNM-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.43
Rot. Bonds7

About N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide

N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 42282214) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID42282214
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C10H19N3O3S/c1-4-16-7-5-6-11-17(14,15)10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyYDJREROBJFBPNM-UHFFFAOYSA-N
XLogP0.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
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-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 42282214) is N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide is CCOCCCNS(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is YDJREROBJFBPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-4-16-7-5-6-11-17(14,15)10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).