N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine

C16H23N3O — CID 106792297

IUPACN-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1OC)c1ccnn1CC
InChIInChI=1S/C16H23N3O/c1-5-17-16(14-9-10-18-19(14)6-2)13-8-7-12(3)11-15(13)20-4/h7-11,16-17H,5-6H2,1-4H3
InChIKeyZEWYWFSTGLXBIM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine

N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine (PubChem CID 106792297) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
PubChem CID106792297
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1OC)c1ccnn1CC
InChIInChI=1S/C16H23N3O/c1-5-17-16(14-9-10-18-19(14)6-2)13-8-7-12(3)11-15(13)20-4/h7-11,16-17H,5-6H2,1-4H3
InChIKeyZEWYWFSTGLXBIM-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360
N-[(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792320
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 106859925
N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065558
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 107984980
(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115857825
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine (CID 106792297) is N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1OC)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine?
The InChIKey is ZEWYWFSTGLXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-17-16(14-9-10-18-19(14)6-2)13-8-7-12(3)11-15(13)20-4/h7-11,16-17H,5-6H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine?
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106792297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).