2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

C23H20N2 — CID 5379000

IUPAC2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
SMILESC(=C/c1ccccc1)\C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C23H20N2/c1-4-10-19(11-5-1)16-17-21-18-23(20-12-6-2-7-13-20)25(24-21)22-14-8-3-9-15-22/h1-17,23H,18H2/b17-16+
InChIKeyVCDHRDBQAPBSAF-WUKNDPDISA-N
MW324.43 g/mol
LogP5.71
Rot. Bonds4

About 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole (PubChem CID 5379000) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
PubChem CID5379000
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
SMILESC(=C/c1ccccc1)\C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C23H20N2/c1-4-10-19(11-5-1)16-17-21-18-23(20-12-6-2-7-13-20)25(24-21)22-14-8-3-9-15-22/h1-17,23H,18H2/b17-16+
InChIKeyVCDHRDBQAPBSAF-WUKNDPDISA-N
XLogP5.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The IUPAC name of 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole (CID 5379000) is 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is C(=C/c1ccccc1)\C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The InChIKey is VCDHRDBQAPBSAF-WUKNDPDISA-N. The full InChI is InChI=1S/C23H20N2/c1-4-10-19(11-5-1)16-17-21-18-23(20-12-6-2-7-13-20)25(24-21)22-14-8-3-9-15-22/h1-17,23H,18H2/b17-16+.
What are the key properties of 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole has a molecular weight of 324.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 5379000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).