3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine

C11H18F3N3O — CID 122166315

IUPAC3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine
SMILESCCOCCCNCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H18F3N3O/c1-3-18-6-4-5-15-8-9-7-10(11(12,13)14)16-17(9)2/h7,15H,3-6,8H2,1-2H3
InChIKeyABLNWDXHAHQXHO-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.96
Rot. Bonds7

About 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine

3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine (PubChem CID 122166315) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine
PubChem CID122166315
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine
SMILESCCOCCCNCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H18F3N3O/c1-3-18-6-4-5-15-8-9-7-10(11(12,13)14)16-17(9)2/h7,15H,3-6,8H2,1-2H3
InChIKeyABLNWDXHAHQXHO-UHFFFAOYSA-N
XLogP1.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.96
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

1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
CID 62566934
3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 122166161
3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965471
4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682364
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 122169256
2-chloro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
CID 166407820
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 112549263
3-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 112727734
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine (CID 122166315) is 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine is CCOCCCNCc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine?
The InChIKey is ABLNWDXHAHQXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-3-18-6-4-5-15-8-9-7-10(11(12,13)14)16-17(9)2/h7,15H,3-6,8H2,1-2H3.
What are the key properties of 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine?
3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 122166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).