2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline

C15H19N3O2 — CID 154925986

IUPAC2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
SMILESCOc1ccc(-c2ccnn2C2CCCCO2)cc1N
InChIInChI=1S/C15H19N3O2/c1-19-14-6-5-11(10-12(14)16)13-7-8-17-18(13)15-4-2-3-9-20-15/h5-8,10,15H,2-4,9,16H2,1H3
InChIKeyOTTNQALEYQGWGA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.84
Rot. Bonds3

About 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline

2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline (PubChem CID 154925986) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
PubChem CID154925986
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
SMILESCOc1ccc(-c2ccnn2C2CCCCO2)cc1N
InChIInChI=1S/C15H19N3O2/c1-19-14-6-5-11(10-12(14)16)13-7-8-17-18(13)15-4-2-3-9-20-15/h5-8,10,15H,2-4,9,16H2,1H3
InChIKeyOTTNQALEYQGWGA-UHFFFAOYSA-N
XLogP2.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The IUPAC name of 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline (CID 154925986) is 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline is COc1ccc(-c2ccnn2C2CCCCO2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The InChIKey is OTTNQALEYQGWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-14-6-5-11(10-12(14)16)13-7-8-17-18(13)15-4-2-3-9-20-15/h5-8,10,15H,2-4,9,16H2,1H3.
What are the key properties of 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline has a molecular weight of 273.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline is sourced from PubChem (CID 154925986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).