1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole

C23H18N2O — CID 140702677

IUPAC1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole
SMILESCc1ccc(C)c(-c2ccn(-c3cccc4c3oc3ccccc34)n2)c1
InChIInChI=1S/C23H18N2O/c1-15-10-11-16(2)19(14-15)20-12-13-25(24-20)21-8-5-7-18-17-6-3-4-9-22(17)26-23(18)21/h3-14H,1-2H3
InChIKeyMMSDBXBQDJORBC-UHFFFAOYSA-N
MW338.41 g/mol
LogP6.06
Rot. Bonds2

About 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole

1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole (PubChem CID 140702677) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole
PubChem CID140702677
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole
SMILESCc1ccc(C)c(-c2ccn(-c3cccc4c3oc3ccccc34)n2)c1
InChIInChI=1S/C23H18N2O/c1-15-10-11-16(2)19(14-15)20-12-13-25(24-20)21-8-5-7-18-17-6-3-4-9-22(17)26-23(18)21/h3-14H,1-2H3
InChIKeyMMSDBXBQDJORBC-UHFFFAOYSA-N
XLogP6.06
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
1-dibenzofuran-4-yl-5-(2,6-dimethylphenyl)imidazole
CID 155758564
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
1-methyl-2-(3-methyldibenzofuran-4-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyridin-1-ium
CID 170401262
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
3,6-dimethyldibenzofuran;ethane
CID 142097287

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole?
The IUPAC name of 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole (CID 140702677) is 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole.
What is the SMILES notation for 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole?
The canonical SMILES for 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole is Cc1ccc(C)c(-c2ccn(-c3cccc4c3oc3ccccc34)n2)c1.
What is the InChIKey of 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole?
The InChIKey is MMSDBXBQDJORBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-15-10-11-16(2)19(14-15)20-12-13-25(24-20)21-8-5-7-18-17-6-3-4-9-22(17)26-23(18)21/h3-14H,1-2H3.
What are the key properties of 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole?
1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole has a molecular weight of 338.41 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-3-(2,5-dimethylphenyl)pyrazole is sourced from PubChem (CID 140702677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).