N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine

C15H21N3O — CID 19619321

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCCn1ccc(CNCCc2ccc(OC)cc2)n1
InChIInChI=1S/C15H21N3O/c1-3-18-11-9-14(17-18)12-16-10-8-13-4-6-15(19-2)7-5-13/h4-7,9,11,16H,3,8,10,12H2,1-2H3
InChIKeyHZUIAZUWDARFGO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds7

About N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine

N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 19619321) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID19619321
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCCn1ccc(CNCCc2ccc(OC)cc2)n1
InChIInChI=1S/C15H21N3O/c1-3-18-11-9-14(17-18)12-16-10-8-13-4-6-15(19-2)7-5-13/h4-7,9,11,16H,3,8,10,12H2,1-2H3
InChIKeyHZUIAZUWDARFGO-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.24
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

N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine
CID 131936062
N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 19623033
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124804746
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine (CID 19619321) is N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine is CCn1ccc(CNCCc2ccc(OC)cc2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is HZUIAZUWDARFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18-11-9-14(17-18)12-16-10-8-13-4-6-15(19-2)7-5-13/h4-7,9,11,16H,3,8,10,12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine?
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 19619321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).