5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride

C8H13FN2O2S — CID 165460478

IUPAC5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride
SMILESCc1cc(S(=O)(=O)F)n(CC(C)C)n1
InChIInChI=1S/C8H13FN2O2S/c1-6(2)5-11-8(14(9,12)13)4-7(3)10-11/h4,6H,5H2,1-3H3
InChIKeyGURSPMZPCYLPGQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.51
Rot. Bonds3

About 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride

5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride (PubChem CID 165460478) has the molecular formula C8H13FN2O2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride
PubChem CID165460478
Molecular FormulaC8H13FN2O2S
Molecular Weight220.27 g/mol
Exact Mass220.07
IUPAC Name5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride
SMILESCc1cc(S(=O)(=O)F)n(CC(C)C)n1
InChIInChI=1S/C8H13FN2O2S/c1-6(2)5-11-8(14(9,12)13)4-7(3)10-11/h4,6H,5H2,1-3H3
InChIKeyGURSPMZPCYLPGQ-UHFFFAOYSA-N
XLogP1.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride?
The IUPAC name of 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride (CID 165460478) is 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride is Cc1cc(S(=O)(=O)F)n(CC(C)C)n1.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride?
The InChIKey is GURSPMZPCYLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2S/c1-6(2)5-11-8(14(9,12)13)4-7(3)10-11/h4,6H,5H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride?
5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride has a molecular weight of 220.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl fluoride is sourced from PubChem (CID 165460478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).