1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide

C15H25N5O2S — CID 71688195

IUPAC1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCCC(CC)n1nccc1NS(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C15H25N5O2S/c1-6-13(7-2)20-14(9-10-16-20)18-23(21,22)15-11(4)17-19(8-3)12(15)5/h9-10,13,18H,6-8H2,1-5H3
InChIKeyAKQFAPYVJOZARU-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.88
Rot. Bonds7

About 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 71688195) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
PubChem CID71688195
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCCC(CC)n1nccc1NS(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C15H25N5O2S/c1-6-13(7-2)20-14(9-10-16-20)18-23(21,22)15-11(4)17-19(8-3)12(15)5/h9-10,13,18H,6-8H2,1-5H3
InChIKeyAKQFAPYVJOZARU-UHFFFAOYSA-N
XLogP2.88
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 71993047
1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 19614444
1-ethyl-3,5-dimethyl-N-(5-methylpyrazin-2-yl)pyrazole-4-sulfonamide
CID 146141237
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 75519495
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 71688203
1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 71974663
1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 35764851
N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 126818385
1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 171133591
1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide
CID 122302530
1-ethyl-3,5-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-4-sulfonamide
CID 122290530

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide (CID 71688195) is 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide is CCC(CC)n1nccc1NS(=O)(=O)c1c(C)nn(CC)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is AKQFAPYVJOZARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-6-13(7-2)20-14(9-10-16-20)18-23(21,22)15-11(4)17-19(8-3)12(15)5/h9-10,13,18H,6-8H2,1-5H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71688195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).