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

C14H12Cl2N2O2 — CID 73057597

IUPAC[1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccc(Cl)cc1Cl)n1cccn1
InChIInChI=1S/C14H12Cl2N2O2/c1-9(18-7-3-6-17-18)14(20-10(2)19)12-5-4-11(15)8-13(12)16/h3-8,14H,1H2,2H3
InChIKeyAVEZBWQHQPQUKN-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.96
Rot. Bonds4

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

[1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate (PubChem CID 73057597) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
PubChem CID73057597
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name[1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccc(Cl)cc1Cl)n1cccn1
InChIInChI=1S/C14H12Cl2N2O2/c1-9(18-7-3-6-17-18)14(20-10(2)19)12-5-4-11(15)8-13(12)16/h3-8,14H,1H2,2H3
InChIKeyAVEZBWQHQPQUKN-UHFFFAOYSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The IUPAC name of [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate (CID 73057597) is [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The canonical SMILES for [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate is C=C(C(OC(C)=O)c1ccc(Cl)cc1Cl)n1cccn1.
What is the InChIKey of [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
The InChIKey is AVEZBWQHQPQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-9(18-7-3-6-17-18)14(20-10(2)19)12-5-4-11(15)8-13(12)16/h3-8,14H,1H2,2H3.
What are the key properties of [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate?
[1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate has a molecular weight of 311.17 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-enyl] acetate is sourced from PubChem (CID 73057597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).