N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

C17H25N3O — CID 105140865

IUPACN-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(CC)nn1C
InChIInChI=1S/C17H25N3O/c1-5-14-12-16(20(4)19-14)17(18-6-2)13-8-10-15(11-9-13)21-7-3/h8-12,17-18H,5-7H2,1-4H3
InChIKeyXXMLGWIEJJCUOR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.08
Rot. Bonds7

About N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105140865) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID105140865
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(CC)nn1C
InChIInChI=1S/C17H25N3O/c1-5-14-12-16(20(4)19-14)17(18-6-2)13-8-10-15(11-9-13)21-7-3/h8-12,17-18H,5-7H2,1-4H3
InChIKeyXXMLGWIEJJCUOR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105145666
N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095176
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
CID 105093037
[(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105340954
N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
CID 105100657
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
2-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105165203
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (CID 105140865) is N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1cc(CC)nn1C.
What is the InChIKey of N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is XXMLGWIEJJCUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-14-12-16(20(4)19-14)17(18-6-2)13-8-10-15(11-9-13)21-7-3/h8-12,17-18H,5-7H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105140865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).