3-fluoro-1-propan-2-ylpyrazole

C6H9FN2 — CID 59729262

IUPAC3-fluoro-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(F)n1
InChIInChI=1S/C6H9FN2/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3
InChIKeyGLGKDOZPUOTXFF-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.60
Rot. Bonds1

About 3-fluoro-1-propan-2-ylpyrazole

3-fluoro-1-propan-2-ylpyrazole (PubChem CID 59729262) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpyrazole
PubChem CID59729262
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-fluoro-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(F)n1
InChIInChI=1S/C6H9FN2/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3
InChIKeyGLGKDOZPUOTXFF-UHFFFAOYSA-N
XLogP1.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylpyrazole?
The IUPAC name of 3-fluoro-1-propan-2-ylpyrazole (CID 59729262) is 3-fluoro-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpyrazole?
The canonical SMILES for 3-fluoro-1-propan-2-ylpyrazole is CC(C)n1ccc(F)n1.
What is the InChIKey of 3-fluoro-1-propan-2-ylpyrazole?
The InChIKey is GLGKDOZPUOTXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-ylpyrazole?
3-fluoro-1-propan-2-ylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpyrazole is sourced from PubChem (CID 59729262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).