[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate

C14H15FN2O2 — CID 21314259

IUPAC[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1C(C)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-9-8-14(19-11(3)18)17(16-9)10(2)12-4-6-13(15)7-5-12/h4-8,10H,1-3H3
InChIKeyNSNXTDXCKTVFTK-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.87
Rot. Bonds3

About [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate

[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate (PubChem CID 21314259) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate.

Molecular Properties

Compound Name[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate
PubChem CID21314259
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate
SMILESCC(=O)Oc1cc(C)nn1C(C)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-9-8-14(19-11(3)18)17(16-9)10(2)12-4-6-13(15)7-5-12/h4-8,10H,1-3H3
InChIKeyNSNXTDXCKTVFTK-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate?
The IUPAC name of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate (CID 21314259) is [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate.
What is the SMILES notation for [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate?
The canonical SMILES for [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate is CC(=O)Oc1cc(C)nn1C(C)c1ccc(F)cc1.
What is the InChIKey of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate?
The InChIKey is NSNXTDXCKTVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-8-14(19-11(3)18)17(16-9)10(2)12-4-6-13(15)7-5-12/h4-8,10H,1-3H3.
What are the key properties of [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate?
[2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate has a molecular weight of 262.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] acetate is sourced from PubChem (CID 21314259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).