3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one

C15H8Cl2N2O3 — CID 10759206

IUPAC3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one
SMILESO=C1C(c2ccc(Cl)cc2)=[N+]([O-])[N+]([O-])=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2N2O3/c16-11-5-1-9(2-6-11)13-15(20)14(19(22)18(13)21)10-3-7-12(17)8-4-10/h1-8H
InChIKeyPZRDDFGCRSTRQW-UHFFFAOYSA-N
MW335.15 g/mol
LogP2.79
Rot. Bonds2

About 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one

3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one (PubChem CID 10759206) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one
PubChem CID10759206
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one
SMILESO=C1C(c2ccc(Cl)cc2)=[N+]([O-])[N+]([O-])=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2N2O3/c16-11-5-1-9(2-6-11)13-15(20)14(19(22)18(13)21)10-3-7-12(17)8-4-10/h1-8H
InChIKeyPZRDDFGCRSTRQW-UHFFFAOYSA-N
XLogP2.79
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one (CID 10759206) is 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one is O=C1C(c2ccc(Cl)cc2)=[N+]([O-])[N+]([O-])=C1c1ccc(Cl)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one?
The InChIKey is PZRDDFGCRSTRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-11-5-1-9(2-6-11)13-15(20)14(19(22)18(13)21)10-3-7-12(17)8-4-10/h1-8H.
What are the key properties of 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one?
3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one has a molecular weight of 335.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one is sourced from PubChem (CID 10759206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).