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

C24H18N4 — CID 10959397

IUPAC5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C24H18N4/c1-3-8-17(9-4-1)21-15-23(27-25-21)19-12-7-13-20(14-19)24-16-22(26-28-24)18-10-5-2-6-11-18/h1-16H,(H,25,27)(H,26,28)
InChIKeyJAAMCDCMUVIEPE-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.80
Rot. Bonds4

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

5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole (PubChem CID 10959397) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
PubChem CID10959397
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C24H18N4/c1-3-8-17(9-4-1)21-15-23(27-25-21)19-12-7-13-20(14-19)24-16-22(26-28-24)18-10-5-2-6-11-18/h1-16H,(H,25,27)(H,26,28)
InChIKeyJAAMCDCMUVIEPE-UHFFFAOYSA-N
XLogP5.80
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The IUPAC name of 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole (CID 10959397) is 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[nH]n4)c3)n[nH]2)cc1.
What is the InChIKey of 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The InChIKey is JAAMCDCMUVIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-3-8-17(9-4-1)21-15-23(27-25-21)19-12-7-13-20(14-19)24-16-22(26-28-24)18-10-5-2-6-11-18/h1-16H,(H,25,27)(H,26,28).
What are the key properties of 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole has a molecular weight of 362.44 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 10959397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).