4-dibenzofuran-2-yl-1-methylpyrazole

C16H12N2O — CID 135064928

IUPAC4-dibenzofuran-2-yl-1-methylpyrazole
SMILESCn1cc(-c2ccc3oc4ccccc4c3c2)cn1
InChIInChI=1S/C16H12N2O/c1-18-10-12(9-17-18)11-6-7-16-14(8-11)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeyZOWWLROSLDJDFC-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.99
Rot. Bonds1

About 4-dibenzofuran-2-yl-1-methylpyrazole

4-dibenzofuran-2-yl-1-methylpyrazole (PubChem CID 135064928) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-1-methylpyrazole.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-1-methylpyrazole
PubChem CID135064928
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name4-dibenzofuran-2-yl-1-methylpyrazole
SMILESCn1cc(-c2ccc3oc4ccccc4c3c2)cn1
InChIInChI=1S/C16H12N2O/c1-18-10-12(9-17-18)11-6-7-16-14(8-11)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeyZOWWLROSLDJDFC-UHFFFAOYSA-N
XLogP3.99
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-1-methylpyrazole?
The IUPAC name of 4-dibenzofuran-2-yl-1-methylpyrazole (CID 135064928) is 4-dibenzofuran-2-yl-1-methylpyrazole.
What is the SMILES notation for 4-dibenzofuran-2-yl-1-methylpyrazole?
The canonical SMILES for 4-dibenzofuran-2-yl-1-methylpyrazole is Cn1cc(-c2ccc3oc4ccccc4c3c2)cn1.
What is the InChIKey of 4-dibenzofuran-2-yl-1-methylpyrazole?
The InChIKey is ZOWWLROSLDJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-18-10-12(9-17-18)11-6-7-16-14(8-11)13-4-2-3-5-15(13)19-16/h2-10H,1H3.
What are the key properties of 4-dibenzofuran-2-yl-1-methylpyrazole?
4-dibenzofuran-2-yl-1-methylpyrazole has a molecular weight of 248.29 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-1-methylpyrazole is sourced from PubChem (CID 135064928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).