3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide

C17H23N3O3S — CID 60554302

IUPAC3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C17H23N3O3S/c1-11-9-18-20(10-11)7-6-16(21)19-24(22,23)17-14(4)12(2)8-13(3)15(17)5/h8-10H,6-7H2,1-5H3,(H,19,21)
InChIKeyAHZHHEAIIJAMRA-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.32
Rot. Bonds5

About 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide

3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide (PubChem CID 60554302) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide
PubChem CID60554302
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C17H23N3O3S/c1-11-9-18-20(10-11)7-6-16(21)19-24(22,23)17-14(4)12(2)8-13(3)15(17)5/h8-10H,6-7H2,1-5H3,(H,19,21)
InChIKeyAHZHHEAIIJAMRA-UHFFFAOYSA-N
XLogP2.32
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide (CID 60554302) is 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide is Cc1cnn(CCC(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide?
The InChIKey is AHZHHEAIIJAMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-9-18-20(10-11)7-6-16(21)19-24(22,23)17-14(4)12(2)8-13(3)15(17)5/h8-10H,6-7H2,1-5H3,(H,19,21).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide?
3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide is sourced from PubChem (CID 60554302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).