5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole

C32H24Cl2N4 — CID 11731192

IUPAC5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C32H24Cl2N4/c1-21-7-3-5-9-29(21)37-31(23-11-15-25(33)16-12-23)19-27(35-37)28-20-32(24-13-17-26(34)18-14-24)38(36-28)30-10-6-4-8-22(30)2/h3-20H,1-2H3
InChIKeyBGOIOBLRCLHGGM-UHFFFAOYSA-N
MW535.48 g/mol
LogP8.98
Rot. Bonds5

About 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole

5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole (PubChem CID 11731192) has the molecular formula C32H24Cl2N4 and a molecular weight of 535.48 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
PubChem CID11731192
Molecular FormulaC32H24Cl2N4
Molecular Weight535.48 g/mol
Exact Mass534.14
IUPAC Name5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C32H24Cl2N4/c1-21-7-3-5-9-29(21)37-31(23-11-15-25(33)16-12-23)19-27(35-37)28-20-32(24-13-17-26(34)18-14-24)38(36-28)30-10-6-4-8-22(30)2/h3-20H,1-2H3
InChIKeyBGOIOBLRCLHGGM-UHFFFAOYSA-N
XLogP8.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.48
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole (CID 11731192) is 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole is Cc1ccccc1-n1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
The InChIKey is BGOIOBLRCLHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Cl2N4/c1-21-7-3-5-9-29(21)37-31(23-11-15-25(33)16-12-23)19-27(35-37)28-20-32(24-13-17-26(34)18-14-24)38(36-28)30-10-6-4-8-22(30)2/h3-20H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole has a molecular weight of 535.48 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 11731192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).