2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole

C6H9F3N2 — CID 162544160

IUPAC2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
SMILESCC1=CC(C(F)(F)F)N(C)N1
InChIInChI=1S/C6H9F3N2/c1-4-3-5(6(7,8)9)11(2)10-4/h3,5,10H,1-2H3
InChIKeyUKTNSRZGXONVIR-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.27
Rot. Bonds

About 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole

2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole (PubChem CID 162544160) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
PubChem CID162544160
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
SMILESCC1=CC(C(F)(F)F)N(C)N1
InChIInChI=1S/C6H9F3N2/c1-4-3-5(6(7,8)9)11(2)10-4/h3,5,10H,1-2H3
InChIKeyUKTNSRZGXONVIR-UHFFFAOYSA-N
XLogP1.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole 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 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The IUPAC name of 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole (CID 162544160) is 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole.
What is the SMILES notation for 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The canonical SMILES for 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole is CC1=CC(C(F)(F)F)N(C)N1.
What is the InChIKey of 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The InChIKey is UKTNSRZGXONVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-3-5(6(7,8)9)11(2)10-4/h3,5,10H,1-2H3.
What are the key properties of 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole has a molecular weight of 166.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole is sourced from PubChem (CID 162544160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).