3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole

C50H38N8 — CID 148638409

IUPAC3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESCc1cc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)c3)[nH]n2)ccc1-c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)c3)[nH]n2)c(C)c1
InChIInChI=1S/C50H38N8/c1-31-24-40(48-29-47(55-56-48)38-17-9-15-36(25-38)45-27-43(51-53-45)33-11-5-3-6-12-33)20-21-41(31)35-19-22-42(32(2)23-35)50-30-49(57-58-50)39-18-10-16-37(26-39)46-28-44(52-54-46)34-13-7-4-8-14-34/h3-30H,1-2H3,(H,51,53)(H,52,54)(H,55,56)(H,57,58)
InChIKeyNJNLIVQQNYBQCA-UHFFFAOYSA-N
MW750.91 g/mol
LogP12.20
Rot. Bonds9

About 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole

3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole (PubChem CID 148638409) has the molecular formula C50H38N8 and a molecular weight of 750.91 g/mol. Its IUPAC name is 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
PubChem CID148638409
Molecular FormulaC50H38N8
Molecular Weight750.91 g/mol
Exact Mass750.32
IUPAC Name3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
SMILESCc1cc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)c3)[nH]n2)ccc1-c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)c3)[nH]n2)c(C)c1
InChIInChI=1S/C50H38N8/c1-31-24-40(48-29-47(55-56-48)38-17-9-15-36(25-38)45-27-43(51-53-45)33-11-5-3-6-12-33)20-21-41(31)35-19-22-42(32(2)23-35)50-30-49(57-58-50)39-18-10-16-37(26-39)46-28-44(52-54-46)34-13-7-4-8-14-34/h3-30H,1-2H3,(H,51,53)(H,52,54)(H,55,56)(H,57,58)
InChIKeyNJNLIVQQNYBQCA-UHFFFAOYSA-N
XLogP12.20
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 512.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The IUPAC name of 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole (CID 148638409) is 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole is Cc1cc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)c3)[nH]n2)ccc1-c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)c3)[nH]n2)c(C)c1.
What is the InChIKey of 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
The InChIKey is NJNLIVQQNYBQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N8/c1-31-24-40(48-29-47(55-56-48)38-17-9-15-36(25-38)45-27-43(51-53-45)33-11-5-3-6-12-33)20-21-41(31)35-19-22-42(32(2)23-35)50-30-49(57-58-50)39-18-10-16-37(26-39)46-28-44(52-54-46)34-13-7-4-8-14-34/h3-30H,1-2H3,(H,51,53)(H,52,54)(H,55,56)(H,57,58).
What are the key properties of 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole?
3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole has a molecular weight of 750.91 g/mol, XLogP of 12.20, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-[2-methyl-4-[5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 148638409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).