2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C9H14F3N3O — CID 56828874

IUPAC2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCn1cccn1
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)8-16-7-4-13-3-6-15-5-1-2-14-15/h1-2,5,13H,3-4,6-8H2
InChIKeyFAJMDFMCTWDQFC-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.05
Rot. Bonds7

About 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 56828874) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID56828874
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCn1cccn1
InChIInChI=1S/C9H14F3N3O/c10-9(11,12)8-16-7-4-13-3-6-15-5-1-2-14-15/h1-2,5,13H,3-4,6-8H2
InChIKeyFAJMDFMCTWDQFC-UHFFFAOYSA-N
XLogP1.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 56828874) is 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCn1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is FAJMDFMCTWDQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c10-9(11,12)8-16-7-4-13-3-6-15-5-1-2-14-15/h1-2,5,13H,3-4,6-8H2.
What are the key properties of 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 237.22 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 56828874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).