3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole

C24H20Cl2N2 — CID 162419942

IUPAC3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-n2nc(-c3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C24H20Cl2N2/c1-15-12-16(2)24(17(3)13-15)28-23(19-6-10-21(26)11-7-19)14-22(27-28)18-4-8-20(25)9-5-18/h4-14H,1-3H3
InChIKeyGLDSXPHDSZYJNU-UHFFFAOYSA-N
MW407.34 g/mol
LogP7.44
Rot. Bonds3

About 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole

3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole (PubChem CID 162419942) has the molecular formula C24H20Cl2N2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole
PubChem CID162419942
Molecular FormulaC24H20Cl2N2
Molecular Weight407.34 g/mol
Exact Mass406.10
IUPAC Name3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole
SMILESCc1cc(C)c(-n2nc(-c3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C24H20Cl2N2/c1-15-12-16(2)24(17(3)13-15)28-23(19-6-10-21(26)11-7-19)14-22(27-28)18-4-8-20(25)9-5-18/h4-14H,1-3H3
InChIKeyGLDSXPHDSZYJNU-UHFFFAOYSA-N
XLogP7.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole (CID 162419942) is 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole is Cc1cc(C)c(-n2nc(-c3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole?
The InChIKey is GLDSXPHDSZYJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2/c1-15-12-16(2)24(17(3)13-15)28-23(19-6-10-21(26)11-7-19)14-22(27-28)18-4-8-20(25)9-5-18/h4-14H,1-3H3.
What are the key properties of 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole?
3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole has a molecular weight of 407.34 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1-(2,4,6-trimethylphenyl)pyrazole is sourced from PubChem (CID 162419942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).