3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole

C24H24Cl4N2O3 — CID 58361137

About 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole

3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole (PubChem CID 58361137) has the molecular formula C24H24Cl4N2O3 and a molecular weight of 530.28 g/mol. Its IUPAC name is 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole.

Molecular Properties

• Compound Name: 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole
• PubChem CID: 58361137
• Molecular Formula: C24H24Cl4N2O3
• Molecular Weight: 530.28 g/mol
• Exact Mass: 528.05
• IUPAC Name: 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole
• SMILES: Cc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1
• InChI: InChI=1S/C24H24Cl4N2O3/c1-15-5-7-17(8-6-15)22-16(2)24(29-30(22)3)33-11-4-10-32-23-19(25)13-18(14-20(23)26)31-12-9-21(27)28/h5-9,13-14H,4,10-12H2,1-3H3
• InChIKey: AQMQSSZRDFZNGE-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 45.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.28
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole?

The IUPAC name of 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole (CID 58361137) is 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole.

What is the SMILES notation for 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole?

The canonical SMILES for 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole is Cc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1.

What is the InChIKey of 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole?

The InChIKey is AQMQSSZRDFZNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl4N2O3/c1-15-5-7-17(8-6-15)22-16(2)24(29-30(22)3)33-11-4-10-32-23-19(25)13-18(14-20(23)26)31-12-9-21(27)28/h5-9,13-14H,4,10-12H2,1-3H3.

What are the key properties of 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole?

3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole has a molecular weight of 530.28 g/mol, XLogP of 7.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole is sourced from PubChem (CID 58361137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).