3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole

C24H18N4 — CID 11089757

IUPAC3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)n[nH]4)cc3)[nH]n2)cc1
InChIInChI=1S/C24H18N4/c1-3-7-17(8-4-1)21-15-23(27-25-21)19-11-13-20(14-12-19)24-16-22(26-28-24)18-9-5-2-6-10-18/h1-16H,(H,25,27)(H,26,28)
InChIKeyRFVHRWKLSGASLI-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.80
Rot. Bonds4

About 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole

3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole (PubChem CID 11089757) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
PubChem CID11089757
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)n[nH]4)cc3)[nH]n2)cc1
InChIInChI=1S/C24H18N4/c1-3-7-17(8-4-1)21-15-23(27-25-21)19-11-13-20(14-12-19)24-16-22(26-28-24)18-9-5-2-6-10-18/h1-16H,(H,25,27)(H,26,28)
InChIKeyRFVHRWKLSGASLI-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 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The IUPAC name of 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole (CID 11089757) is 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)n[nH]4)cc3)[nH]n2)cc1.
What is the InChIKey of 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The InChIKey is RFVHRWKLSGASLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-3-7-17(8-4-1)21-15-23(27-25-21)19-11-13-20(14-12-19)24-16-22(26-28-24)18-9-5-2-6-10-18/h1-16H,(H,25,27)(H,26,28).
What are the key properties of 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-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 3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 11089757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).