2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline

C12H15N3O — CID 105471285

IUPAC2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCOc1cccc(Cc2ccnn2C)c1N
InChIInChI=1S/C12H15N3O/c1-15-10(6-7-14-15)8-9-4-3-5-11(16-2)12(9)13/h3-7H,8,13H2,1-2H3
InChIKeyDJVGXPHPQLAIQW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds3

About 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline

2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 105471285) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID105471285
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCOc1cccc(Cc2ccnn2C)c1N
InChIInChI=1S/C12H15N3O/c1-15-10(6-7-14-15)8-9-4-3-5-11(16-2)12(9)13/h3-7H,8,13H2,1-2H3
InChIKeyDJVGXPHPQLAIQW-UHFFFAOYSA-N
XLogP1.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[(2-methylpyrazol-3-yl)methyl]aniline
CID 174825806
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030726
5-[3-(bromomethyl)-4-(2-methoxyphenyl)butyl]-1-methylpyrazole
CID 103018527
2-(2-aminoethoxymethyl)-6-methoxyaniline
CID 155114674
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
2,6-dimethoxyaniline;ethane
CID 145233133
N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
CID 107466320
4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 103004508
[2-(2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105204926

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline (CID 105471285) is 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline is COc1cccc(Cc2ccnn2C)c1N.
What is the InChIKey of 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is DJVGXPHPQLAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-10(6-7-14-15)8-9-4-3-5-11(16-2)12(9)13/h3-7H,8,13H2,1-2H3.
What are the key properties of 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline?
2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 105471285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).