1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine

C16H23N3O — CID 115822526

IUPAC1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cnn(CC)c2)NC)cc1
InChIInChI=1S/C16H23N3O/c1-4-19-12-13(11-18-19)10-16(17-3)14-6-8-15(9-7-14)20-5-2/h6-9,11-12,16-17H,4-5,10H2,1-3H3
InChIKeyPJBKCXMIBAKXHH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.80
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine

1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 115822526) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
PubChem CID115822526
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cnn(CC)c2)NC)cc1
InChIInChI=1S/C16H23N3O/c1-4-19-12-13(11-18-19)10-16(17-3)14-6-8-15(9-7-14)20-5-2/h6-9,11-12,16-17H,4-5,10H2,1-3H3
InChIKeyPJBKCXMIBAKXHH-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine
CID 62715334
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
CID 62127681
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 62553312
1-(2-bromo-3,4-difluorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107539079
1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822078
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579
2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62128291
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine (CID 115822526) is 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine is CCOc1ccc(C(Cc2cnn(CC)c2)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is PJBKCXMIBAKXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19-12-13(11-18-19)10-16(17-3)14-6-8-15(9-7-14)20-5-2/h6-9,11-12,16-17H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine?
1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 115822526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).