5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole

C20H16N2O — CID 10685620

IUPAC5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccco3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H16N2O/c1-15-9-11-16(12-10-15)18-14-19(20-8-5-13-23-20)22(21-18)17-6-3-2-4-7-17/h2-14H,1H3
InChIKeyHPJQEZJCSVLEIW-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.11
Rot. Bonds3

About 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole

5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole (PubChem CID 10685620) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole
PubChem CID10685620
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccco3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H16N2O/c1-15-9-11-16(12-10-15)18-14-19(20-8-5-13-23-20)22(21-18)17-6-3-2-4-7-17/h2-14H,1H3
InChIKeyHPJQEZJCSVLEIW-UHFFFAOYSA-N
XLogP5.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole (CID 10685620) is 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole is Cc1ccc(-c2cc(-c3ccco3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole?
The InChIKey is HPJQEZJCSVLEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-15-9-11-16(12-10-15)18-14-19(20-8-5-13-23-20)22(21-18)17-6-3-2-4-7-17/h2-14H,1H3.
What are the key properties of 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole?
5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole has a molecular weight of 300.36 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole is sourced from PubChem (CID 10685620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).