5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

C28H26N4 — CID 118529548

IUPAC5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESCCc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4CC)[nH]n3)c2)n[nH]1
InChIInChI=1S/C28H26N4/c1-3-19-10-5-7-14-23(19)27-17-25(29-31-27)21-12-9-13-22(16-21)26-18-28(32-30-26)24-15-8-6-11-20(24)4-2/h5-18H,3-4H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyRZZNBUOPSGXZIM-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.93
Rot. Bonds6

About 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 118529548) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
PubChem CID118529548
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC Name5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESCCc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4CC)[nH]n3)c2)n[nH]1
InChIInChI=1S/C28H26N4/c1-3-19-10-5-7-14-23(19)27-17-25(29-31-27)21-12-9-13-22(16-21)26-18-28(32-30-26)24-15-8-6-11-20(24)4-2/h5-18H,3-4H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyRZZNBUOPSGXZIM-UHFFFAOYSA-N
XLogP6.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The IUPAC name of 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 118529548) is 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is CCc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4CC)[nH]n3)c2)n[nH]1.
What is the InChIKey of 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The InChIKey is RZZNBUOPSGXZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4/c1-3-19-10-5-7-14-23(19)27-17-25(29-31-27)21-12-9-13-22(16-21)26-18-28(32-30-26)24-15-8-6-11-20(24)4-2/h5-18H,3-4H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 418.54 g/mol, XLogP of 6.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 118529548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).