1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide

C17H21N5O2S — CID 86870409

IUPAC1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)Cn1cccn1
InChIInChI=1S/C17H21N5O2S/c1-15(12-21-9-5-8-18-21)10-20-25(23,24)17-11-19-22(14-17)13-16-6-3-2-4-7-16/h2-9,11,14-15,20H,10,12-13H2,1H3
InChIKeyUUGWZFAAAUKOBQ-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.74
Rot. Bonds8

About 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide

1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide (PubChem CID 86870409) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
PubChem CID86870409
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)Cn1cccn1
InChIInChI=1S/C17H21N5O2S/c1-15(12-21-9-5-8-18-21)10-20-25(23,24)17-11-19-22(14-17)13-16-6-3-2-4-7-16/h2-9,11,14-15,20H,10,12-13H2,1H3
InChIKeyUUGWZFAAAUKOBQ-UHFFFAOYSA-N
XLogP1.74
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 55735458
4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide
CID 99830947
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
1-benzyl-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110954641
3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55108808
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
N-[(2S)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864282
N-[(2R)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864281
1-benzyl-N-(3-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;dihydrochloride
CID 119994455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide (CID 86870409) is 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide is CC(CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)Cn1cccn1.
What is the InChIKey of 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide?
The InChIKey is UUGWZFAAAUKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-15(12-21-9-5-8-18-21)10-20-25(23,24)17-11-19-22(14-17)13-16-6-3-2-4-7-16/h2-9,11,14-15,20H,10,12-13H2,1H3.
What are the key properties of 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide?
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide has a molecular weight of 359.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 86870409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).