3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane

C16H23F3N2 — CID 143930377

IUPAC3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane
SMILESCC.CC.Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2.2C2H6/c1-8-6-9(2)17(16-8)11-5-3-4-10(7-11)12(13,14)15;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyZJUXIWJLKFYCBW-UHFFFAOYSA-N
MW300.37 g/mol
LogP5.56
Rot. Bonds1

About 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane

3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane (PubChem CID 143930377) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane
PubChem CID143930377
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane
SMILESCC.CC.Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2.2C2H6/c1-8-6-9(2)17(16-8)11-5-3-4-10(7-11)12(13,14)15;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyZJUXIWJLKFYCBW-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.37
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane 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 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane?
The IUPAC name of 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane (CID 143930377) is 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane.
What is the SMILES notation for 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane?
The canonical SMILES for 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane is CC.CC.Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane?
The InChIKey is ZJUXIWJLKFYCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2.2C2H6/c1-8-6-9(2)17(16-8)11-5-3-4-10(7-11)12(13,14)15;2*1-2/h3-7H,1-2H3;2*1-2H3.
What are the key properties of 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane?
3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane has a molecular weight of 300.37 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole;ethane is sourced from PubChem (CID 143930377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).