4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole

C17H11Cl5N2 — CID 50884155

IUPAC4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole
SMILESCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl5N2/c1-8-16(10-3-4-12(19)13(20)5-10)9(2)24(23-8)17-14(21)6-11(18)7-15(17)22/h3-7H,1-2H3
InChIKeyVLKJMCIMLZEFDD-UHFFFAOYSA-N
MW420.55 g/mol
LogP7.42
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole

4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole (PubChem CID 50884155) has the molecular formula C17H11Cl5N2 and a molecular weight of 420.55 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole
PubChem CID50884155
Molecular FormulaC17H11Cl5N2
Molecular Weight420.55 g/mol
Exact Mass417.94
IUPAC Name4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole
SMILESCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl5N2/c1-8-16(10-3-4-12(19)13(20)5-10)9(2)24(23-8)17-14(21)6-11(18)7-15(17)22/h3-7H,1-2H3
InChIKeyVLKJMCIMLZEFDD-UHFFFAOYSA-N
XLogP7.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole (CID 50884155) is 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole is Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
The InChIKey is VLKJMCIMLZEFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl5N2/c1-8-16(10-3-4-12(19)13(20)5-10)9(2)24(23-8)17-14(21)6-11(18)7-15(17)22/h3-7H,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole has a molecular weight of 420.55 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole is sourced from PubChem (CID 50884155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).