1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole

C25H18Cl2N4 — CID 45484814

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole
SMILESCc1c(-c2cn(-c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N4/c1-17-24(22-15-30(16-28-22)20-7-3-2-4-8-20)29-31(23-10-6-5-9-21(23)27)25(17)18-11-13-19(26)14-12-18/h2-16H,1H3
InChIKeySKUJRFWLYROKKQ-UHFFFAOYSA-N
MW445.35 g/mol
LogP7.01
Rot. Bonds4

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole (PubChem CID 45484814) has the molecular formula C25H18Cl2N4 and a molecular weight of 445.35 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole
PubChem CID45484814
Molecular FormulaC25H18Cl2N4
Molecular Weight445.35 g/mol
Exact Mass444.09
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole
SMILESCc1c(-c2cn(-c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N4/c1-17-24(22-15-30(16-28-22)20-7-3-2-4-8-20)29-31(23-10-6-5-9-21(23)27)25(17)18-11-13-19(26)14-12-18/h2-16H,1H3
InChIKeySKUJRFWLYROKKQ-UHFFFAOYSA-N
XLogP7.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole (CID 45484814) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole is Cc1c(-c2cn(-c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole?
The InChIKey is SKUJRFWLYROKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4/c1-17-24(22-15-30(16-28-22)20-7-3-2-4-8-20)29-31(23-10-6-5-9-21(23)27)25(17)18-11-13-19(26)14-12-18/h2-16H,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole has a molecular weight of 445.35 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenylimidazol-4-yl)pyrazole is sourced from PubChem (CID 45484814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).