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

C28H26N4 — CID 118529456

IUPAC5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESc1ccc(CCc2cc(-c3cccc(-c4cc(CCc5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C28H26N4/c1-3-8-21(9-4-1)14-16-25-19-27(31-29-25)23-12-7-13-24(18-23)28-20-26(30-32-28)17-15-22-10-5-2-6-11-22/h1-13,18-20H,14-17H2,(H,29,31)(H,30,32)
InChIKeyFELBCODXRNSSCY-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.04
Rot. Bonds8

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

5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 118529456) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
PubChem CID118529456
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC Name5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESc1ccc(CCc2cc(-c3cccc(-c4cc(CCc5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C28H26N4/c1-3-8-21(9-4-1)14-16-25-19-27(31-29-25)23-12-7-13-24(18-23)28-20-26(30-32-28)17-15-22-10-5-2-6-11-22/h1-13,18-20H,14-17H2,(H,29,31)(H,30,32)
InChIKeyFELBCODXRNSSCY-UHFFFAOYSA-N
XLogP6.04
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
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CID 70840
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CID 11506914
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
2-(3-Phenyl-1H-pyrazol-5-YL)aniline
CID 54852070
2-(5-phenyl-1H-pyrazol-3-yl)acetonitrile
CID 902140
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
3-phenyl-1H-indazole
CID 300385

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The IUPAC name of 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 118529456) is 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is c1ccc(CCc2cc(-c3cccc(-c4cc(CCc5ccccc5)[nH]n4)c3)n[nH]2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The InChIKey is FELBCODXRNSSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4/c1-3-8-21(9-4-1)14-16-25-19-27(31-29-25)23-12-7-13-24(18-23)28-20-26(30-32-28)17-15-22-10-5-2-6-11-22/h1-13,18-20H,14-17H2,(H,29,31)(H,30,32).
What are the key properties of 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 418.54 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 118529456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).