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

C54H46N8 — CID 148711962

IUPAC4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole
SMILESCCc1c(-c2ccccc2)n[nH]c1-c1cccc(-c2[nH]nc(-c3ccc(-c4ccc(-c5n[nH]c(-c6cccc(-c7[nH]nc(-c8ccccc8)c7C)c6)c5C)cc4)cc3)c2CC)c1
InChIInChI=1S/C54H46N8/c1-5-45-51(38-17-11-8-12-18-38)59-61-53(45)43-21-14-22-44(32-43)54-46(6-2)52(60-62-54)40-29-25-36(26-30-40)35-23-27-39(28-24-35)48-34(4)50(58-56-48)42-20-13-19-41(31-42)49-33(3)47(55-57-49)37-15-9-7-10-16-37/h7-32H,5-6H2,1-4H3,(H,55,57)(H,56,58)(H,59,61)(H,60,62)
InChIKeyNXKACEQGWXQSMU-UHFFFAOYSA-N
MW807.02 g/mol
LogP13.32
Rot. Bonds11

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

4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole (PubChem CID 148711962) has the molecular formula C54H46N8 and a molecular weight of 807.02 g/mol. Its IUPAC name is 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole
PubChem CID148711962
Molecular FormulaC54H46N8
Molecular Weight807.02 g/mol
Exact Mass806.38
IUPAC Name4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole
SMILESCCc1c(-c2ccccc2)n[nH]c1-c1cccc(-c2[nH]nc(-c3ccc(-c4ccc(-c5n[nH]c(-c6cccc(-c7[nH]nc(-c8ccccc8)c7C)c6)c5C)cc4)cc3)c2CC)c1
InChIInChI=1S/C54H46N8/c1-5-45-51(38-17-11-8-12-18-38)59-61-53(45)43-21-14-22-44(32-43)54-46(6-2)52(60-62-54)40-29-25-36(26-30-40)35-23-27-39(28-24-35)48-34(4)50(58-56-48)42-20-13-19-41(31-42)49-33(3)47(55-57-49)37-15-9-7-10-16-37/h7-32H,5-6H2,1-4H3,(H,55,57)(H,56,58)(H,59,61)(H,60,62)
InChIKeyNXKACEQGWXQSMU-UHFFFAOYSA-N
XLogP13.32
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.02
LogP ≤ 513.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole with MolForge

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Related Compounds

tris(3,5-diphenyl-1H-pyrazol-4-yl)borane
CID 54132821
tris(5-methyl-3-phenyl-1H-pyrazol-4-yl)borane
CID 57030268
1,1,2,2-Tetrakis(4-(1H-pyrazol-4-yl)phenyl)ethene
CID 156784078
tris[5-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]borane
CID 123475840
CID 139065503
CID 139065503
CID 139065798
CID 139065798
CID 139090023
CID 139090023
Hexakis(copper(1+));tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
CID 139160546
Hexasilver;hexakis(3,5-dimethyl-4-[[4-(1,2,2-triphenylethenyl)phenyl]methyl]pyrazol-1-ide)
CID 139174014
4-tert-butyl-5-(4-methylphenyl)-1H-pyrazole
CID 139175384
tetrasilver;octakis(4-benzyl-3,5-dimethyl-1H-pyrazole);disulfate
CID 168349338
bis(copper(1+));hexakis(3,5-diphenyl-1H-pyrazole);sulfate
CID 168349340

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole?
The IUPAC name of 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole (CID 148711962) is 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole is CCc1c(-c2ccccc2)n[nH]c1-c1cccc(-c2[nH]nc(-c3ccc(-c4ccc(-c5n[nH]c(-c6cccc(-c7[nH]nc(-c8ccccc8)c7C)c6)c5C)cc4)cc3)c2CC)c1.
What is the InChIKey of 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole?
The InChIKey is NXKACEQGWXQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N8/c1-5-45-51(38-17-11-8-12-18-38)59-61-53(45)43-21-14-22-44(32-43)54-46(6-2)52(60-62-54)40-29-25-36(26-30-40)35-23-27-39(28-24-35)48-34(4)50(58-56-48)42-20-13-19-41(31-42)49-33(3)47(55-57-49)37-15-9-7-10-16-37/h7-32H,5-6H2,1-4H3,(H,55,57)(H,56,58)(H,59,61)(H,60,62).
What are the key properties of 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole?
4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole has a molecular weight of 807.02 g/mol, XLogP of 13.32, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-3-[4-[4-[4-methyl-5-[3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazole is sourced from PubChem (CID 148711962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).