1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole

C25H20N2 — CID 68934849

IUPAC1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole
SMILESC(=C/c1cccc(/C=C/c2ccccc2)c1-n1cccn1)\c1ccccc1
InChIInChI=1S/C25H20N2/c1-3-9-21(10-4-1)15-17-23-13-7-14-24(25(23)27-20-8-19-26-27)18-16-22-11-5-2-6-12-22/h1-20H/b17-15+,18-16+
InChIKeyVMLKXJTZDDBZGB-YTEMWHBBSA-N
MW348.45 g/mol
LogP6.21
Rot. Bonds5

About 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole

1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole (PubChem CID 68934849) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole
PubChem CID68934849
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole
SMILESC(=C/c1cccc(/C=C/c2ccccc2)c1-n1cccn1)\c1ccccc1
InChIInChI=1S/C25H20N2/c1-3-9-21(10-4-1)15-17-23-13-7-14-24(25(23)27-20-8-19-26-27)18-16-22-11-5-2-6-12-22/h1-20H/b17-15+,18-16+
InChIKeyVMLKXJTZDDBZGB-YTEMWHBBSA-N
XLogP6.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole?
The IUPAC name of 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole (CID 68934849) is 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole.
What is the SMILES notation for 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole?
The canonical SMILES for 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole is C(=C/c1cccc(/C=C/c2ccccc2)c1-n1cccn1)\c1ccccc1.
What is the InChIKey of 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole?
The InChIKey is VMLKXJTZDDBZGB-YTEMWHBBSA-N. The full InChI is InChI=1S/C25H20N2/c1-3-9-21(10-4-1)15-17-23-13-7-14-24(25(23)27-20-8-19-26-27)18-16-22-11-5-2-6-12-22/h1-20H/b17-15+,18-16+.
What are the key properties of 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole?
1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole has a molecular weight of 348.45 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole is sourced from PubChem (CID 68934849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).