1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C17H25N3O — CID 43233364

IUPAC1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3O/c1-6-21-16-9-7-15(8-10-16)12(2)18-11-17-13(3)19-20(5)14(17)4/h7-10,12,18H,6,11H2,1-5H3
InChIKeyOEOLOOFCVVINQJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.29
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43233364) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID43233364
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3O/c1-6-21-16-9-7-15(8-10-16)12(2)18-11-17-13(3)19-20(5)14(17)4/h7-10,12,18H,6,11H2,1-5H3
InChIKeyOEOLOOFCVVINQJ-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
(1R)-1-(4-imidazol-1-ylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 9113138
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 79224959
1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60945720
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94822156
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 43233364) is 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is CCOc1ccc(C(C)NCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OEOLOOFCVVINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-21-16-9-7-15(8-10-16)12(2)18-11-17-13(3)19-20(5)14(17)4/h7-10,12,18H,6,11H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43233364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).