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

C35H28N6 — CID 136960758

IUPAC3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)[nH]n4)cc(-c4cc(-c5cccc(C)c5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/C35H28N6/c1-22-8-6-12-25(14-22)31-20-34(40-37-31)28-16-27(33-19-30(36-39-33)24-10-4-3-5-11-24)17-29(18-28)35-21-32(38-41-35)26-13-7-9-23(2)15-26/h3-21H,1-2H3,(H,36,39)(H,37,40)(H,38,41)
InChIKeyJGYZGAFKJONHFX-UHFFFAOYSA-N
MW532.65 g/mol
LogP8.47
Rot. Bonds6

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

3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole (PubChem CID 136960758) has the molecular formula C35H28N6 and a molecular weight of 532.65 g/mol. Its IUPAC name is 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole.

Molecular Properties

Compound Name3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole
PubChem CID136960758
Molecular FormulaC35H28N6
Molecular Weight532.65 g/mol
Exact Mass532.24
IUPAC Name3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)[nH]n4)cc(-c4cc(-c5cccc(C)c5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/C35H28N6/c1-22-8-6-12-25(14-22)31-20-34(40-37-31)28-16-27(33-19-30(36-39-33)24-10-4-3-5-11-24)17-29(18-28)35-21-32(38-41-35)26-13-7-9-23(2)15-26/h3-21H,1-2H3,(H,36,39)(H,37,40)(H,38,41)
InChIKeyJGYZGAFKJONHFX-UHFFFAOYSA-N
XLogP8.47
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 58.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole?
The IUPAC name of 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole (CID 136960758) is 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole.
What is the SMILES notation for 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole?
The canonical SMILES for 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole is Cc1cccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)[nH]n4)cc(-c4cc(-c5cccc(C)c5)n[nH]4)c3)[nH]n2)c1.
What is the InChIKey of 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole?
The InChIKey is JGYZGAFKJONHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N6/c1-22-8-6-12-25(14-22)31-20-34(40-37-31)28-16-27(33-19-30(36-39-33)24-10-4-3-5-11-24)17-29(18-28)35-21-32(38-41-35)26-13-7-9-23(2)15-26/h3-21H,1-2H3,(H,36,39)(H,37,40)(H,38,41).
What are the key properties of 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole?
3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole has a molecular weight of 532.65 g/mol, XLogP of 8.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-5-phenyl-1H-pyrazole is sourced from PubChem (CID 136960758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).