3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide

C17H19N5O3S — CID 16823927

IUPAC3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H19N5O3S/c1-12-17(13(2)20-19-12)26(23,24)18-10-11-25-16-9-8-15(21-22-16)14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyGCLKBQZITRXSSN-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.84
Rot. Bonds7

About 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 16823927) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
PubChem CID16823927
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H19N5O3S/c1-12-17(13(2)20-19-12)26(23,24)18-10-11-25-16-9-8-15(21-22-16)14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyGCLKBQZITRXSSN-UHFFFAOYSA-N
XLogP1.84
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 41246455
2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27475732
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 60700211
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
CID 41246392
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27444766
2-methyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1,3-benzothiazole-6-sulfonamide
CID 41246315
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide (CID 16823927) is 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is GCLKBQZITRXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12-17(13(2)20-19-12)26(23,24)18-10-11-25-16-9-8-15(21-22-16)14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 16823927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).