5-ethenyl-1,3,5-triphenyl-4H-pyrazole

C23H20N2 — CID 13152578

IUPAC5-ethenyl-1,3,5-triphenyl-4H-pyrazole
SMILESC=CC1(c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H20N2/c1-2-23(20-14-8-4-9-15-20)18-22(19-12-6-3-7-13-19)24-25(23)21-16-10-5-11-17-21/h2-17H,1,18H2
InChIKeyMYZFSGGWOXCXHK-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.38
Rot. Bonds4

About 5-ethenyl-1,3,5-triphenyl-4H-pyrazole

5-ethenyl-1,3,5-triphenyl-4H-pyrazole (PubChem CID 13152578) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-ethenyl-1,3,5-triphenyl-4H-pyrazole.

Molecular Properties

Compound Name5-ethenyl-1,3,5-triphenyl-4H-pyrazole
PubChem CID13152578
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name5-ethenyl-1,3,5-triphenyl-4H-pyrazole
SMILESC=CC1(c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H20N2/c1-2-23(20-14-8-4-9-15-20)18-22(19-12-6-3-7-13-19)24-25(23)21-16-10-5-11-17-21/h2-17H,1,18H2
InChIKeyMYZFSGGWOXCXHK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,3,5-triphenyl-4H-pyrazole?
The IUPAC name of 5-ethenyl-1,3,5-triphenyl-4H-pyrazole (CID 13152578) is 5-ethenyl-1,3,5-triphenyl-4H-pyrazole.
What is the SMILES notation for 5-ethenyl-1,3,5-triphenyl-4H-pyrazole?
The canonical SMILES for 5-ethenyl-1,3,5-triphenyl-4H-pyrazole is C=CC1(c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 5-ethenyl-1,3,5-triphenyl-4H-pyrazole?
The InChIKey is MYZFSGGWOXCXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-2-23(20-14-8-4-9-15-20)18-22(19-12-6-3-7-13-19)24-25(23)21-16-10-5-11-17-21/h2-17H,1,18H2.
What are the key properties of 5-ethenyl-1,3,5-triphenyl-4H-pyrazole?
5-ethenyl-1,3,5-triphenyl-4H-pyrazole 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 5-ethenyl-1,3,5-triphenyl-4H-pyrazole is sourced from PubChem (CID 13152578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).