5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole

C16H15F3N2O2 — CID 123370690

IUPAC5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESC=COC(=CC)c1cc(C(F)(F)F)nn1-c1ccc(OC)cc1
InChIInChI=1S/C16H15F3N2O2/c1-4-14(23-5-2)13-10-15(16(17,18)19)20-21(13)11-6-8-12(22-3)9-7-11/h4-10H,2H2,1,3H3
InChIKeyAPOZTISJOGTQDT-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.42
Rot. Bonds5

About 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole

5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 123370690) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID123370690
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESC=COC(=CC)c1cc(C(F)(F)F)nn1-c1ccc(OC)cc1
InChIInChI=1S/C16H15F3N2O2/c1-4-14(23-5-2)13-10-15(16(17,18)19)20-21(13)11-6-8-12(22-3)9-7-11/h4-10H,2H2,1,3H3
InChIKeyAPOZTISJOGTQDT-UHFFFAOYSA-N
XLogP4.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole 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 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 123370690) is 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole is C=COC(=CC)c1cc(C(F)(F)F)nn1-c1ccc(OC)cc1.
What is the InChIKey of 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is APOZTISJOGTQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-4-14(23-5-2)13-10-15(16(17,18)19)20-21(13)11-6-8-12(22-3)9-7-11/h4-10H,2H2,1,3H3.
What are the key properties of 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 324.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 123370690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).