[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate

C₁₇H₁₂Cl₂N₂O₂ — CID 141115200

About [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate

[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate (PubChem CID 141115200) has the molecular formula C₁₇H₁₂Cl₂N₂O₂ and a molecular weight of 347.20 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate.

Molecular Properties

• Compound Name: [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate
• PubChem CID: 141115200
• Molecular Formula: C₁₇H₁₂Cl₂N₂O₂
• Molecular Weight: 347.20 g/mol
• Exact Mass: 346.03
• IUPAC Name: [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate
• SMILES: CC(=O)Oc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C17H12Cl2N2O2/c1-11(22)23-16-10-20-21(15-5-3-2-4-14(15)19)17(16)12-6-8-13(18)9-7-12/h2-10H,1H3
• InChIKey: RUGQNSZWNFILCC-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 44.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.20
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?

The IUPAC name of [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate (CID 141115200) is [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate.

What is the SMILES notation for [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?

The canonical SMILES for [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate is CC(=O)Oc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.

What is the InChIKey of [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?

The InChIKey is RUGQNSZWNFILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-11(22)23-16-10-20-21(15-5-3-2-4-14(15)19)17(16)12-6-8-13(18)9-7-12/h2-10H,1H3.

What are the key properties of [1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate?

[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl] acetate has a molecular weight of 347.20 g/mol, XLogP of 4.77, 3 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)pyrazol-4-yl] acetate is sourced from PubChem (CID 141115200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141115200 — identifiers, structure, computed properties (public domain)

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