3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline

C12H15N3O — CID 153085603

IUPAC3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
SMILESCc1cccc(N)c1COc1ccn(C)n1
InChIInChI=1S/C12H15N3O/c1-9-4-3-5-11(13)10(9)8-16-12-6-7-15(2)14-12/h3-7H,8,13H2,1-2H3
InChIKeyVODPPJHQPZJCCE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds3

About 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline

3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline (PubChem CID 153085603) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
PubChem CID153085603
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
SMILESCc1cccc(N)c1COc1ccn(C)n1
InChIInChI=1S/C12H15N3O/c1-9-4-3-5-11(13)10(9)8-16-12-6-7-15(2)14-12/h3-7H,8,13H2,1-2H3
InChIKeyVODPPJHQPZJCCE-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865663
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-en-2-ylbenzoate
CID 160994598
3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 158886137
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 160566932
3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole
CID 149409228
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoic acid
CID 126579823
4-[(2-amino-6-methylphenyl)methoxy]-3-methylphenol
CID 129110100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline?
The IUPAC name of 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline (CID 153085603) is 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline?
The canonical SMILES for 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline is Cc1cccc(N)c1COc1ccn(C)n1.
What is the InChIKey of 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline?
The InChIKey is VODPPJHQPZJCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-3-5-11(13)10(9)8-16-12-6-7-15(2)14-12/h3-7H,8,13H2,1-2H3.
What are the key properties of 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline?
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline is sourced from PubChem (CID 153085603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).