1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C15H21N3O — CID 105095428

IUPAC1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-10-14(11(2)18(3)17-10)9-15(16)12-5-7-13(19-4)8-6-12/h5-8,15H,9,16H2,1-4H3
InChIKeyFICOQUYGPWFXQH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105095428) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105095428
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-10-14(11(2)18(3)17-10)9-15(16)12-5-7-13(19-4)8-6-12/h5-8,15H,9,16H2,1-4H3
InChIKeyFICOQUYGPWFXQH-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407
1-(3-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105170047
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186869
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186707
1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63818946

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105095428) is 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is COc1ccc(C(N)Cc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is FICOQUYGPWFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-14(11(2)18(3)17-10)9-15(16)12-5-7-13(19-4)8-6-12/h5-8,15H,9,16H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105095428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).