2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole

C23H20N2 — CID 13152575

IUPAC2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole
SMILESC=C(c1ccccc1)C1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H20N2/c1-18(19-11-5-2-6-12-19)23-17-22(20-13-7-3-8-14-20)24-25(23)21-15-9-4-10-16-21/h2-16,23H,1,17H2
InChIKeyFCQZXMZLFNSTTQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.38
Rot. Bonds4

About 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole

2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole (PubChem CID 13152575) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole
PubChem CID13152575
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole
SMILESC=C(c1ccccc1)C1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H20N2/c1-18(19-11-5-2-6-12-19)23-17-22(20-13-7-3-8-14-20)24-25(23)21-15-9-4-10-16-21/h2-16,23H,1,17H2
InChIKeyFCQZXMZLFNSTTQ-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole?
The IUPAC name of 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole (CID 13152575) is 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole is C=C(c1ccccc1)C1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole?
The InChIKey is FCQZXMZLFNSTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-18(19-11-5-2-6-12-19)23-17-22(20-13-7-3-8-14-20)24-25(23)21-15-9-4-10-16-21/h2-16,23H,1,17H2.
What are the key properties of 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole?
2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole has a molecular weight of 324.43 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 13152575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).