2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C7H10F3N3O — CID 178201138

IUPAC2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCOc1cc(C(F)(F)F)nn1CCN
InChIInChI=1S/C7H10F3N3O/c1-14-6-4-5(7(8,9)10)12-13(6)3-2-11/h4H,2-3,11H2,1H3
InChIKeyBDHAGJZODHCZGH-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.87
Rot. Bonds3

About 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine

2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 178201138) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID178201138
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCOc1cc(C(F)(F)F)nn1CCN
InChIInChI=1S/C7H10F3N3O/c1-14-6-4-5(7(8,9)10)12-13(6)3-2-11/h4H,2-3,11H2,1H3
InChIKeyBDHAGJZODHCZGH-UHFFFAOYSA-N
XLogP0.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-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-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 178201138) is 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine is COc1cc(C(F)(F)F)nn1CCN.
What is the InChIKey of 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is BDHAGJZODHCZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-14-6-4-5(7(8,9)10)12-13(6)3-2-11/h4H,2-3,11H2,1H3.
What are the key properties of 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 209.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 178201138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).