3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole

C25H24N2 — CID 68648729

IUPAC3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESCc1ccc(C=CC2=CC(c3ccc(C)cc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C25H24N2/c1-19-8-12-21(13-9-19)14-17-23-18-25(22-15-10-20(2)11-16-22)27(26-23)24-6-4-3-5-7-24/h3-18,25-26H,1-2H3
InChIKeyHSABKLSZLQDFEE-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.97
Rot. Bonds4

About 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole

3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole (PubChem CID 68648729) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
PubChem CID68648729
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESCc1ccc(C=CC2=CC(c3ccc(C)cc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C25H24N2/c1-19-8-12-21(13-9-19)14-17-23-18-25(22-15-10-20(2)11-16-22)27(26-23)24-6-4-3-5-7-24/h3-18,25-26H,1-2H3
InChIKeyHSABKLSZLQDFEE-UHFFFAOYSA-N
XLogP5.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The IUPAC name of 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole (CID 68648729) is 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole is Cc1ccc(C=CC2=CC(c3ccc(C)cc3)N(c3ccccc3)N2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The InChIKey is HSABKLSZLQDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-19-8-12-21(13-9-19)14-17-23-18-25(22-15-10-20(2)11-16-22)27(26-23)24-6-4-3-5-7-24/h3-18,25-26H,1-2H3.
What are the key properties of 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole has a molecular weight of 352.48 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole is sourced from PubChem (CID 68648729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).