1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine

C16H23N3O2 — CID 104996375

IUPAC1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23N3O2/c1-11-8-12(19(3)18-11)9-15(17-2)14-10-13(20-4)6-7-16(14)21-5/h6-8,10,15,17H,9H2,1-5H3
InChIKeyBMNPAJDIVNXUEN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.25
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine

1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (PubChem CID 104996375) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
PubChem CID104996375
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23N3O2/c1-11-8-12(19(3)18-11)9-15(17-2)14-10-13(20-4)6-7-16(14)21-5/h6-8,10,15,17H,9H2,1-5H3
InChIKeyBMNPAJDIVNXUEN-UHFFFAOYSA-N
XLogP2.25
TPSA48.31 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 81304748
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030714
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 114886219
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996334
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864340
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-quinoxalin-5-ylethanamine
CID 105158647

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (CID 104996375) is 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is CNC(Cc1cc(C)nn1C)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is BMNPAJDIVNXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-8-12(19(3)18-11)9-15(17-2)14-10-13(20-4)6-7-16(14)21-5/h6-8,10,15,17H,9H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 104996375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).