5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole

C25H17Cl3N4 — CID 3012923

IUPAC5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
SMILESClc1ccc(-n2ncc(C(c3ccccc3)n3ccnc3)c2-c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C25H17Cl3N4/c26-18-10-11-23(22(28)14-18)32-25(19-8-4-5-9-21(19)27)20(15-30-32)24(31-13-12-29-16-31)17-6-2-1-3-7-17/h1-16,24H
InChIKeyUEEDNGNXYLMLKW-UHFFFAOYSA-N
MW479.80 g/mol
LogP7.33
Rot. Bonds5

About 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole

5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole (PubChem CID 3012923) has the molecular formula C25H17Cl3N4 and a molecular weight of 479.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
PubChem CID3012923
Molecular FormulaC25H17Cl3N4
Molecular Weight479.80 g/mol
Exact Mass478.05
IUPAC Name5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
SMILESClc1ccc(-n2ncc(C(c3ccccc3)n3ccnc3)c2-c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C25H17Cl3N4/c26-18-10-11-23(22(28)14-18)32-25(19-8-4-5-9-21(19)27)20(15-30-32)24(31-13-12-29-16-31)17-6-2-1-3-7-17/h1-16,24H
InChIKeyUEEDNGNXYLMLKW-UHFFFAOYSA-N
XLogP7.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.80
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole (CID 3012923) is 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole is Clc1ccc(-n2ncc(C(c3ccccc3)n3ccnc3)c2-c2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole?
The InChIKey is UEEDNGNXYLMLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3N4/c26-18-10-11-23(22(28)14-18)32-25(19-8-4-5-9-21(19)27)20(15-30-32)24(31-13-12-29-16-31)17-6-2-1-3-7-17/h1-16,24H.
What are the key properties of 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole?
5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole has a molecular weight of 479.80 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole is sourced from PubChem (CID 3012923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).