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

C16H23N3O2 — CID 103871912

IUPAC1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCn2cc(C)cn2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-12-10-18-19(11-12)8-7-17-13(2)15-6-5-14(20-3)9-16(15)21-4/h5-6,9-11,13,17H,7-8H2,1-4H3
InChIKeyCEVWJASHYLOBSS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.56
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (PubChem CID 103871912) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
PubChem CID103871912
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCn2cc(C)cn2)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-12-10-18-19(11-12)8-7-17-13(2)15-6-5-14(20-3)9-16(15)21-4/h5-6,9-11,13,17H,7-8H2,1-4H3
InChIKeyCEVWJASHYLOBSS-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649568
1-(2,5-dimethylfuran-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 113429021
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine (CID 103871912) is 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine is COc1ccc(C(C)NCCn2cc(C)cn2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
The InChIKey is CEVWJASHYLOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-10-18-19(11-12)8-7-17-13(2)15-6-5-14(20-3)9-16(15)21-4/h5-6,9-11,13,17H,7-8H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine?
1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 103871912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).