[1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate

C14H13FN2O2 — CID 73056992

IUPAC[1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccc(F)cc1)n1cccn1
InChIInChI=1S/C14H13FN2O2/c1-10(17-9-3-8-16-17)14(19-11(2)18)12-4-6-13(15)7-5-12/h3-9,14H,1H2,2H3
InChIKeyGRTAPXALDJLYLP-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.80
Rot. Bonds4

About [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate

[1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate (PubChem CID 73056992) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
PubChem CID73056992
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name[1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccc(F)cc1)n1cccn1
InChIInChI=1S/C14H13FN2O2/c1-10(17-9-3-8-16-17)14(19-11(2)18)12-4-6-13(15)7-5-12/h3-9,14H,1H2,2H3
InChIKeyGRTAPXALDJLYLP-UHFFFAOYSA-N
XLogP2.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The IUPAC name of [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate (CID 73056992) is [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate.
What is the SMILES notation for [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The canonical SMILES for [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate is C=C(C(OC(C)=O)c1ccc(F)cc1)n1cccn1.
What is the InChIKey of [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The InChIKey is GRTAPXALDJLYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-10(17-9-3-8-16-17)14(19-11(2)18)12-4-6-13(15)7-5-12/h3-9,14H,1H2,2H3.
What are the key properties of [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
[1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate has a molecular weight of 260.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate is sourced from PubChem (CID 73056992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).