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

C11H13N3O — CID 115550991

IUPAC3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
SMILESCc1cc(Oc2c(C)cccc2N)n[nH]1
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9(12)11(7)15-10-6-8(2)13-14-10/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyBJBRHXSDTFRCST-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.40
Rot. Bonds2

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

3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline (PubChem CID 115550991) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
PubChem CID115550991
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
SMILESCc1cc(Oc2c(C)cccc2N)n[nH]1
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9(12)11(7)15-10-6-8(2)13-14-10/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyBJBRHXSDTFRCST-UHFFFAOYSA-N
XLogP2.40
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The IUPAC name of 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline (CID 115550991) is 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline.
What is the SMILES notation for 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The canonical SMILES for 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline is Cc1cc(Oc2c(C)cccc2N)n[nH]1.
What is the InChIKey of 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
The InChIKey is BJBRHXSDTFRCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-4-3-5-9(12)11(7)15-10-6-8(2)13-14-10/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline?
3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline has a molecular weight of 203.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline is sourced from PubChem (CID 115550991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).