1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine

C17H25N3O — CID 115885602

IUPAC1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCc1cn(C)nc1CC
InChIInChI=1S/C17H25N3O/c1-5-16-14(12-20(4)19-16)11-18-13(3)15-9-7-8-10-17(15)21-6-2/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyIFCFJNSGGQKUOO-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.23
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine

1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115885602) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID115885602
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCc1cn(C)nc1CC
InChIInChI=1S/C17H25N3O/c1-5-16-14(12-20(4)19-16)11-18-13(3)15-9-7-8-10-17(15)21-6-2/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyIFCFJNSGGQKUOO-UHFFFAOYSA-N
XLogP3.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 115888663
2-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-4-fluorophenol
CID 115989312
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115885307
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103894057
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 113348148
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine (CID 115885602) is 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine is CCOc1ccccc1C(C)NCc1cn(C)nc1CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is IFCFJNSGGQKUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-16-14(12-20(4)19-16)11-18-13(3)15-9-7-8-10-17(15)21-6-2/h7-10,12-13,18H,5-6,11H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine?
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).