1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C16H23N3O2 — CID 105002556

IUPAC1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1c(OC)cccc1OC
InChIInChI=1S/C16H23N3O2/c1-5-19-12(9-11(2)18-19)10-13(17)16-14(20-3)7-6-8-15(16)21-4/h6-9,13H,5,10,17H2,1-4H3
InChIKeyZEEVBMCNLCJAJB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105002556) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105002556
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1c(OC)cccc1OC
InChIInChI=1S/C16H23N3O2/c1-5-19-12(9-11(2)18-19)10-13(17)16-14(20-3)7-6-8-15(16)21-4/h6-9,13H,5,10,17H2,1-4H3
InChIKeyZEEVBMCNLCJAJB-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002735
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103373928
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154
2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine
CID 105162303
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115816490
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
1-(2,5-dibromophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002899
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105002642

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105002556) is 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1CC(N)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is ZEEVBMCNLCJAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-19-12(9-11(2)18-19)10-13(17)16-14(20-3)7-6-8-15(16)21-4/h6-9,13H,5,10,17H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105002556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).