3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine

C11H18F3N3O — CID 62566934

IUPAC3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
SMILESCCOCCCNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-2-18-9-3-5-15-6-8-17-7-4-10(16-17)11(12,13)14/h4,7,15H,2-3,5-6,8-9H2,1H3
InChIKeyQGLUEPCXZSXNHD-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.92
Rot. Bonds8

About 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine

3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine (PubChem CID 62566934) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
PubChem CID62566934
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
SMILESCCOCCCNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-2-18-9-3-5-15-6-8-17-7-4-10(16-17)11(12,13)14/h4,7,15H,2-3,5-6,8-9H2,1H3
InChIKeyQGLUEPCXZSXNHD-UHFFFAOYSA-N
XLogP1.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.92
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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Related Compounds

3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine
CID 122166315
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]heptan-2-amine
CID 55088610
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine
CID 62565057
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588716
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-amine
CID 106800335
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine
CID 62441951

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine (CID 62566934) is 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine is CCOCCCNCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
The InChIKey is QGLUEPCXZSXNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-18-9-3-5-15-6-8-17-7-4-10(16-17)11(12,13)14/h4,7,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62566934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).