5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide

C10H17N3O3S — CID 113258245

IUPAC5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H17N3O3S/c1-8(2)7-16-5-4-12-17(14,15)10-6-11-13-9(10)3/h6,12H,1,4-5,7H2,2-3H3,(H,11,13)
InChIKeyJGJTYKDUVQTDGB-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.59
Rot. Bonds7

About 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 113258245) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID113258245
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H17N3O3S/c1-8(2)7-16-5-4-12-17(14,15)10-6-11-13-9(10)3/h6,12H,1,4-5,7H2,2-3H3,(H,11,13)
InChIKeyJGJTYKDUVQTDGB-UHFFFAOYSA-N
XLogP0.59
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
2-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698735
methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
CID 115755650
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113248089
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54903976
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide (CID 113258245) is 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide is C=C(C)COCCNS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is JGJTYKDUVQTDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8(2)7-16-5-4-12-17(14,15)10-6-11-13-9(10)3/h6,12H,1,4-5,7H2,2-3H3,(H,11,13).
What are the key properties of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113258245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).