1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole

C8H11F3N2OS — CID 170077974

IUPAC1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole
SMILESCC(C)S(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2OS/c1-5(2)15(14)7-4-6(8(9,10)11)12-13(7)3/h4-5H,1-3H3
InChIKeySJYZVBCUPZSPOP-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.95
Rot. Bonds2

About 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole

1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole (PubChem CID 170077974) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole
PubChem CID170077974
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole
SMILESCC(C)S(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2OS/c1-5(2)15(14)7-4-6(8(9,10)11)12-13(7)3/h4-5H,1-3H3
InChIKeySJYZVBCUPZSPOP-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole (CID 170077974) is 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole is CC(C)S(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole?
The InChIKey is SJYZVBCUPZSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5(2)15(14)7-4-6(8(9,10)11)12-13(7)3/h4-5H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole?
1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole has a molecular weight of 240.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 170077974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).