1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine

C7H10F3N3O — CID 82711332

IUPAC1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C7H10F3N3O/c1-5(6-2-3-11-12-6)13-14-4-7(8,9)10/h2-3,5,13H,4H2,1H3,(H,11,12)
InChIKeyGBHWYJMSKSZSSH-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.55
Rot. Bonds4

About 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711332) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711332
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C7H10F3N3O/c1-5(6-2-3-11-12-6)13-14-4-7(8,9)10/h2-3,5,13H,4H2,1H3,(H,11,12)
InChIKeyGBHWYJMSKSZSSH-UHFFFAOYSA-N
XLogP1.55
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711332) is 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GBHWYJMSKSZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-5(6-2-3-11-12-6)13-14-4-7(8,9)10/h2-3,5,13H,4H2,1H3,(H,11,12).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 209.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).