N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C10H19N3O3S — CID 42282369

IUPACN-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1cn(C(C)C)nc1C
InChIInChI=1S/C10H19N3O3S/c1-8(2)13-7-10(9(3)12-13)17(14,15)11-5-6-16-4/h7-8,11H,5-6H2,1-4H3
InChIKeyACNUTAQYDWXBMO-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.70
Rot. Bonds6

About N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282369) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282369
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1cn(C(C)C)nc1C
InChIInChI=1S/C10H19N3O3S/c1-8(2)13-7-10(9(3)12-13)17(14,15)11-5-6-16-4/h7-8,11H,5-6H2,1-4H3
InChIKeyACNUTAQYDWXBMO-UHFFFAOYSA-N
XLogP0.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.70
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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Related Compounds

3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42282427
3-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283804
3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282484
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283787
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282522
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283810
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282369) is N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is COCCNS(=O)(=O)c1cn(C(C)C)nc1C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is ACNUTAQYDWXBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8(2)13-7-10(9(3)12-13)17(14,15)11-5-6-16-4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).