4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline

C11H13N3O2 — CID 81342391

IUPAC4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
SMILESCOc1ccc(N)c(Oc2cc(C)[nH]n2)c1
InChIInChI=1S/C11H13N3O2/c1-7-5-11(14-13-7)16-10-6-8(15-2)3-4-9(10)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyVULJNAAMZOIHTA-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.10
Rot. Bonds3

About 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline

4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline (PubChem CID 81342391) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline.

Molecular Properties

Compound Name4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
PubChem CID81342391
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
SMILESCOc1ccc(N)c(Oc2cc(C)[nH]n2)c1
InChIInChI=1S/C11H13N3O2/c1-7-5-11(14-13-7)16-10-6-8(15-2)3-4-9(10)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyVULJNAAMZOIHTA-UHFFFAOYSA-N
XLogP2.10
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81341664
4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile
CID 104712741
2-amino-5-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile
CID 115499858
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
CID 103140085
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 81342669
6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
CID 102702984
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 102703002
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The IUPAC name of 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline (CID 81342391) is 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline.
What is the SMILES notation for 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The canonical SMILES for 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline is COc1ccc(N)c(Oc2cc(C)[nH]n2)c1.
What is the InChIKey of 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The InChIKey is VULJNAAMZOIHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-5-11(14-13-7)16-10-6-8(15-2)3-4-9(10)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline has a molecular weight of 219.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline is sourced from PubChem (CID 81342391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).