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

C15H16N2O2 — CID 73057293

IUPAC[1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccc(C)cc1)n1cccn1
InChIInChI=1S/C15H16N2O2/c1-11-5-7-14(8-6-11)15(19-13(3)18)12(2)17-10-4-9-16-17/h4-10,15H,2H2,1,3H3
InChIKeyJRURZEWRQXNUOT-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.97
Rot. Bonds4

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

[1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate (PubChem CID 73057293) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate.

Molecular Properties

Compound Name[1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
PubChem CID73057293
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name[1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccc(C)cc1)n1cccn1
InChIInChI=1S/C15H16N2O2/c1-11-5-7-14(8-6-11)15(19-13(3)18)12(2)17-10-4-9-16-17/h4-10,15H,2H2,1,3H3
InChIKeyJRURZEWRQXNUOT-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The IUPAC name of [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate (CID 73057293) is [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate.
What is the SMILES notation for [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The canonical SMILES for [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate is C=C(C(OC(C)=O)c1ccc(C)cc1)n1cccn1.
What is the InChIKey of [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The InChIKey is JRURZEWRQXNUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-7-14(8-6-11)15(19-13(3)18)12(2)17-10-4-9-16-17/h4-10,15H,2H2,1,3H3.
What are the key properties of [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
[1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate has a molecular weight of 256.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-2-pyrazol-1-ylprop-2-enyl] acetate is sourced from PubChem (CID 73057293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).