1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

C16H23N3O2 — CID 62125915

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-5-17-14(8-12-10-18-19(2)11-12)13-6-7-15(20-3)16(9-13)21-4/h6-7,9-11,14,17H,5,8H2,1-4H3
InChIKeyPUZXAKZBTJXWLU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 62125915) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID62125915
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-5-17-14(8-12-10-18-19(2)11-12)13-6-7-15(20-3)16(9-13)21-4/h6-7,9-11,14,17H,5,8H2,1-4H3
InChIKeyPUZXAKZBTJXWLU-UHFFFAOYSA-N
XLogP2.33
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65200344
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821781
N-ethyl-1-(4-ethylsulfanylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 106849241
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 61350604
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046
N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60889160
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 62125915) is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(C)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is PUZXAKZBTJXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-17-14(8-12-10-18-19(2)11-12)13-6-7-15(20-3)16(9-13)21-4/h6-7,9-11,14,17H,5,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62125915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).