N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide

C8H15N3O3S — CID 19681770

IUPACN-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C8H15N3O3S/c1-7-8(6-9-11(7)2)15(12,13)10-4-5-14-3/h6,10H,4-5H2,1-3H3
InChIKeyIUHMALAMKCEMRB-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19681770) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID19681770
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C8H15N3O3S/c1-7-8(6-9-11(7)2)15(12,13)10-4-5-14-3/h6,10H,4-5H2,1-3H3
InChIKeyIUHMALAMKCEMRB-UHFFFAOYSA-N
XLogP-0.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.35
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

1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684332
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 95756264
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
CID 82459893
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
CID 114172502
N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 51853446
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282369
N-[3-(4-chloro-3-nitropyrazol-1-yl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19614564
1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853506

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 19681770) is N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide is COCCNS(=O)(=O)c1cnn(C)c1C.
What is the InChIKey of N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is IUHMALAMKCEMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-7-8(6-9-11(7)2)15(12,13)10-4-5-14-3/h6,10H,4-5H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).