3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C13H8ClF3N4O — CID 2726917

IUPAC3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCn1cc(Cl)c(-c2noc(-c3ccccc3C(F)(F)F)n2)n1
InChIInChI=1S/C13H8ClF3N4O/c1-21-6-9(14)10(19-21)11-18-12(22-20-11)7-4-2-3-5-8(7)13(15,16)17/h2-6H,1H3
InChIKeySTJQUZDGJQCCSR-UHFFFAOYSA-N
MW328.68 g/mol
LogP3.81
Rot. Bonds2

About 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2726917) has the molecular formula C13H8ClF3N4O and a molecular weight of 328.68 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID2726917
Molecular FormulaC13H8ClF3N4O
Molecular Weight328.68 g/mol
Exact Mass328.03
IUPAC Name3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCn1cc(Cl)c(-c2noc(-c3ccccc3C(F)(F)F)n2)n1
InChIInChI=1S/C13H8ClF3N4O/c1-21-6-9(14)10(19-21)11-18-12(22-20-11)7-4-2-3-5-8(7)13(15,16)17/h2-6H,1H3
InChIKeySTJQUZDGJQCCSR-UHFFFAOYSA-N
XLogP3.81
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 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 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 2726917) is 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cn1cc(Cl)c(-c2noc(-c3ccccc3C(F)(F)F)n2)n1.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is STJQUZDGJQCCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4O/c1-21-6-9(14)10(19-21)11-18-12(22-20-11)7-4-2-3-5-8(7)13(15,16)17/h2-6H,1H3.
What are the key properties of 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 328.68 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2726917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).