2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine

C23H19N3O2 — CID 176913099

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine
SMILESCc1cc(C)n(-c2cccc(Oc3cc(N)c4oc5ccccc5c4c3)c2)n1
InChIInChI=1S/C23H19N3O2/c1-14-10-15(2)26(25-14)16-6-5-7-17(11-16)27-18-12-20-19-8-3-4-9-22(19)28-23(20)21(24)13-18/h3-13H,24H2,1-2H3
InChIKeyTVVMGNMTGLSWBQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.76
Rot. Bonds3

About 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine

2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine (PubChem CID 176913099) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine
PubChem CID176913099
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine
SMILESCc1cc(C)n(-c2cccc(Oc3cc(N)c4oc5ccccc5c4c3)c2)n1
InChIInChI=1S/C23H19N3O2/c1-14-10-15(2)26(25-14)16-6-5-7-17(11-16)27-18-12-20-19-8-3-4-9-22(19)28-23(20)21(24)13-18/h3-13H,24H2,1-2H3
InChIKeyTVVMGNMTGLSWBQ-UHFFFAOYSA-N
XLogP5.76
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine (CID 176913099) is 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine is Cc1cc(C)n(-c2cccc(Oc3cc(N)c4oc5ccccc5c4c3)c2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine?
The InChIKey is TVVMGNMTGLSWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-14-10-15(2)26(25-14)16-6-5-7-17(11-16)27-18-12-20-19-8-3-4-9-22(19)28-23(20)21(24)13-18/h3-13H,24H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine?
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine has a molecular weight of 369.42 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]dibenzofuran-4-amine is sourced from PubChem (CID 176913099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).