3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide

C35H21Cl7F9N7O5 — CID 162115197

About 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide

3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide (PubChem CID 162115197) has the molecular formula C35H21Cl7F9N7O5 and a molecular weight of 1038.75 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide
• PubChem CID: 162115197
• Molecular Formula: C35H21Cl7F9N7O5
• Molecular Weight: 1038.75 g/mol
• Exact Mass: 1034.93
• IUPAC Name: 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide
• SMILES: Cc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)n[nH]1.Cc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn1C(=O)Cl.Cc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn1C(N)=O
• InChI: InChI=1S/C12H6Cl3F3N2O2.C12H8Cl2F3N3O2.C11H7Cl2F3N2O/c1-5-2-9(19-20(5)11(15)21)22-10-7(13)3-6(4-8(10)14)12(16,17)18;1-5-2-9(19-20(5)11(18)21)22-10-7(13)3-6(4-8(10)14)12(15,16)17;1-5-2-9(18-17-5)19-10-7(12)3-6(4-8(10)13)11(14,15)16/h2-4H,1H3;2-4H,1H3,(H2,18,21);2-4H,1H3,(H,17,18)
• InChIKey: ZGRDDJLAXRPTRV-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 152.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1038.75
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide?

The IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide (CID 162115197) is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide.

What is the SMILES notation for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide?

The canonical SMILES for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide is Cc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)n[nH]1.Cc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn1C(=O)Cl.Cc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn1C(N)=O.

What is the InChIKey of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide?

The InChIKey is ZGRDDJLAXRPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3F3N2O2.C12H8Cl2F3N3O2.C11H7Cl2F3N2O/c1-5-2-9(19-20(5)11(15)21)22-10-7(13)3-6(4-8(10)14)12(16,17)18;1-5-2-9(19-20(5)11(18)21)22-10-7(13)3-6(4-8(10)14)12(15,16)17;1-5-2-9(18-17-5)19-10-7(12)3-6(4-8(10)13)11(14,15)16/h2-4H,1H3;2-4H,1H3,(H2,18,21);2-4H,1H3,(H,17,18).

What are the key properties of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide?

3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide has a molecular weight of 1038.75 g/mol, XLogP of 14.59, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide is sourced from PubChem (CID 162115197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).