5-ethoxy-3-fluoro-1-methylpyrazole

C6H9FN2O — CID 167200126

IUPAC5-ethoxy-3-fluoro-1-methylpyrazole
SMILESCCOc1cc(F)nn1C
InChIInChI=1S/C6H9FN2O/c1-3-10-6-4-5(7)8-9(6)2/h4H,3H2,1-2H3
InChIKeyPEPULJFIUHNPJX-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.96
Rot. Bonds2

About 5-ethoxy-3-fluoro-1-methylpyrazole

5-ethoxy-3-fluoro-1-methylpyrazole (PubChem CID 167200126) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 5-ethoxy-3-fluoro-1-methylpyrazole.

Molecular Properties

Compound Name5-ethoxy-3-fluoro-1-methylpyrazole
PubChem CID167200126
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name5-ethoxy-3-fluoro-1-methylpyrazole
SMILESCCOc1cc(F)nn1C
InChIInChI=1S/C6H9FN2O/c1-3-10-6-4-5(7)8-9(6)2/h4H,3H2,1-2H3
InChIKeyPEPULJFIUHNPJX-UHFFFAOYSA-N
XLogP0.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-fluoro-1-methylpyrazole?
The IUPAC name of 5-ethoxy-3-fluoro-1-methylpyrazole (CID 167200126) is 5-ethoxy-3-fluoro-1-methylpyrazole.
What is the SMILES notation for 5-ethoxy-3-fluoro-1-methylpyrazole?
The canonical SMILES for 5-ethoxy-3-fluoro-1-methylpyrazole is CCOc1cc(F)nn1C.
What is the InChIKey of 5-ethoxy-3-fluoro-1-methylpyrazole?
The InChIKey is PEPULJFIUHNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-3-10-6-4-5(7)8-9(6)2/h4H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-fluoro-1-methylpyrazole?
5-ethoxy-3-fluoro-1-methylpyrazole has a molecular weight of 144.15 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-fluoro-1-methylpyrazole is sourced from PubChem (CID 167200126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).