3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole

C10H17FN2O2S — CID 170239142

IUPAC3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole
SMILESCc1cc(C(C)(C)F)nn1CCS(C)(=O)=O
InChIInChI=1S/C10H17FN2O2S/c1-8-7-9(10(2,3)11)12-13(8)5-6-16(4,14)15/h7H,5-6H2,1-4H3
InChIKeyIDXARLXLSWIPGP-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.44
Rot. Bonds4

About 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole

3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole (PubChem CID 170239142) has the molecular formula C10H17FN2O2S and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole
PubChem CID170239142
Molecular FormulaC10H17FN2O2S
Molecular Weight248.32 g/mol
Exact Mass248.10
IUPAC Name3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole
SMILESCc1cc(C(C)(C)F)nn1CCS(C)(=O)=O
InChIInChI=1S/C10H17FN2O2S/c1-8-7-9(10(2,3)11)12-13(8)5-6-16(4,14)15/h7H,5-6H2,1-4H3
InChIKeyIDXARLXLSWIPGP-UHFFFAOYSA-N
XLogP1.44
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole?
The IUPAC name of 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole (CID 170239142) is 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole is Cc1cc(C(C)(C)F)nn1CCS(C)(=O)=O.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole?
The InChIKey is IDXARLXLSWIPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2S/c1-8-7-9(10(2,3)11)12-13(8)5-6-16(4,14)15/h7H,5-6H2,1-4H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole?
3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole has a molecular weight of 248.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole is sourced from PubChem (CID 170239142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).