1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide

C17H25N3O4S — CID 42282856

IUPAC1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cn(Cc2ccccc2)nc1C
InChIInChI=1S/C17H25N3O4S/c1-15-17(14-19(18-15)13-16-7-5-4-6-8-16)25(21,22)20(9-11-23-2)10-12-24-3/h4-8,14H,9-13H2,1-3H3
InChIKeyFQZROWPDLUXYES-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.52
Rot. Bonds10

About 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide

1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide (PubChem CID 42282856) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
PubChem CID42282856
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cn(Cc2ccccc2)nc1C
InChIInChI=1S/C17H25N3O4S/c1-15-17(14-19(18-15)13-16-7-5-4-6-8-16)25(21,22)20(9-11-23-2)10-12-24-3/h4-8,14H,9-13H2,1-3H3
InChIKeyFQZROWPDLUXYES-UHFFFAOYSA-N
XLogP1.52
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide
CID 42283017
1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
CID 42284277
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 29382416
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29096121
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42346872
1-(1-benzyl-3-methylpyrazol-4-yl)-2-dimethoxyphosphorylethanone
CID 86609936
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 131930163
1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29090004
1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol
CID 145270781
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide (CID 42282856) is 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide is COCCN(CCOC)S(=O)(=O)c1cn(Cc2ccccc2)nc1C.
What is the InChIKey of 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is FQZROWPDLUXYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-15-17(14-19(18-15)13-16-7-5-4-6-8-16)25(21,22)20(9-11-23-2)10-12-24-3/h4-8,14H,9-13H2,1-3H3.
What are the key properties of 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide?
1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 1.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).