5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole

C22H19Cl3N4 — CID 45484808

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole
SMILESCc1c(-c2cn(C(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N4/c1-13(2)28-11-19(26-12-28)21-14(3)22(15-4-6-16(23)7-5-15)29(27-21)20-9-8-17(24)10-18(20)25/h4-13H,1-3H3
InChIKeyJUPJTDKQLVRRDB-UHFFFAOYSA-N
MW445.78 g/mol
LogP7.25
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole (PubChem CID 45484808) has the molecular formula C22H19Cl3N4 and a molecular weight of 445.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole
PubChem CID45484808
Molecular FormulaC22H19Cl3N4
Molecular Weight445.78 g/mol
Exact Mass444.07
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole
SMILESCc1c(-c2cn(C(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N4/c1-13(2)28-11-19(26-12-28)21-14(3)22(15-4-6-16(23)7-5-15)29(27-21)20-9-8-17(24)10-18(20)25/h4-13H,1-3H3
InChIKeyJUPJTDKQLVRRDB-UHFFFAOYSA-N
XLogP7.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole (CID 45484808) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole is Cc1c(-c2cn(C(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole?
The InChIKey is JUPJTDKQLVRRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4/c1-13(2)28-11-19(26-12-28)21-14(3)22(15-4-6-16(23)7-5-15)29(27-21)20-9-8-17(24)10-18(20)25/h4-13H,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole has a molecular weight of 445.78 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazole is sourced from PubChem (CID 45484808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).