2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine

C11H14F3N5 — CID 55239315

IUPAC2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1CCN
InChIInChI=1S/C11H14F3N5/c1-7-8(3-5-15)10(18(2)16-7)19-6-4-9(17-19)11(12,13)14/h4,6H,3,5,15H2,1-2H3
InChIKeyJRNIKGZMZHRJQF-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.43
Rot. Bonds3

About 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine

2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine (PubChem CID 55239315) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine
PubChem CID55239315
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1CCN
InChIInChI=1S/C11H14F3N5/c1-7-8(3-5-15)10(18(2)16-7)19-6-4-9(17-19)11(12,13)14/h4,6H,3,5,15H2,1-2H3
InChIKeyJRNIKGZMZHRJQF-UHFFFAOYSA-N
XLogP1.43
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine 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-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine (CID 55239315) is 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine is Cc1nn(C)c(-n2ccc(C(F)(F)F)n2)c1CCN.
What is the InChIKey of 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine?
The InChIKey is JRNIKGZMZHRJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-7-8(3-5-15)10(18(2)16-7)19-6-4-9(17-19)11(12,13)14/h4,6H,3,5,15H2,1-2H3.
What are the key properties of 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine?
2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine has a molecular weight of 273.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 55239315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).