3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole

C12H13FN2O — CID 58898669

IUPAC3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole
SMILESCCOc1cc(F)ccc1-c1ccn(C)n1
InChIInChI=1S/C12H13FN2O/c1-3-16-12-8-9(13)4-5-10(12)11-6-7-15(2)14-11/h4-8H,3H2,1-2H3
InChIKeyJIHJHIWHYOGDGD-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.62
Rot. Bonds3

About 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole

3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole (PubChem CID 58898669) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole
PubChem CID58898669
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole
SMILESCCOc1cc(F)ccc1-c1ccn(C)n1
InChIInChI=1S/C12H13FN2O/c1-3-16-12-8-9(13)4-5-10(12)11-6-7-15(2)14-11/h4-8H,3H2,1-2H3
InChIKeyJIHJHIWHYOGDGD-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole (CID 58898669) is 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole is CCOc1cc(F)ccc1-c1ccn(C)n1.
What is the InChIKey of 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole?
The InChIKey is JIHJHIWHYOGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-3-16-12-8-9(13)4-5-10(12)11-6-7-15(2)14-11/h4-8H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole?
3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole has a molecular weight of 220.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 58898669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).