N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C10H16F3N3O — CID 62565251

IUPACN-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCCOCCNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-2-17-8-5-14-4-7-16-6-3-9(15-16)10(11,12)13/h3,6,14H,2,4-5,7-8H2,1H3
InChIKeyMBIJXIPYXLSWFB-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.53
Rot. Bonds7

About N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 62565251) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID62565251
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCCOCCNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-2-17-8-5-14-4-7-16-6-3-9(15-16)10(11,12)13/h3,6,14H,2,4-5,7-8H2,1H3
InChIKeyMBIJXIPYXLSWFB-UHFFFAOYSA-N
XLogP1.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.53
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 N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 62565251) is N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is CCOCCNCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is MBIJXIPYXLSWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-17-8-5-14-4-7-16-6-3-9(15-16)10(11,12)13/h3,6,14H,2,4-5,7-8H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 62565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).