2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine

C15H21N3O — CID 82484180

IUPAC2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine
SMILESCOc1cc(C)c(-c2cc(C)nn2CCN)cc1C
InChIInChI=1S/C15H21N3O/c1-10-8-15(19-4)11(2)7-13(10)14-9-12(3)17-18(14)6-5-16/h7-9H,5-6,16H2,1-4H3
InChIKeyURNWPTOBLZAIAM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds4

About 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine

2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine (PubChem CID 82484180) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine
PubChem CID82484180
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine
SMILESCOc1cc(C)c(-c2cc(C)nn2CCN)cc1C
InChIInChI=1S/C15H21N3O/c1-10-8-15(19-4)11(2)7-13(10)14-9-12(3)17-18(14)6-5-16/h7-9H,5-6,16H2,1-4H3
InChIKeyURNWPTOBLZAIAM-UHFFFAOYSA-N
XLogP2.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82485568
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82128869
2-(4-methoxy-2,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293776
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82479432
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
CID 83558388

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine (CID 82484180) is 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine is COc1cc(C)c(-c2cc(C)nn2CCN)cc1C.
What is the InChIKey of 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine?
The InChIKey is URNWPTOBLZAIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-8-15(19-4)11(2)7-13(10)14-9-12(3)17-18(14)6-5-16/h7-9H,5-6,16H2,1-4H3.
What are the key properties of 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine?
2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 82484180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).