1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine

C32H21Cl3F6N8O2 — CID 159972267

About 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine

1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine (PubChem CID 159972267) has the molecular formula C32H21Cl3F6N8O2 and a molecular weight of 769.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine
• PubChem CID: 159972267
• Molecular Formula: C32H21Cl3F6N8O2
• Molecular Weight: 769.92 g/mol
• Exact Mass: 768.08
• IUPAC Name: 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine
• SMILES: Nc1ccncc1.O=C(Cl)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.O=C(Nc1ccncc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
• InChI: InChI=1S/C16H10ClF3N4O.C11H5Cl2F3N2O.C5H6N2/c17-10-1-3-12(4-2-10)24-14(16(18,19)20)13(9-22-24)15(25)23-11-5-7-21-8-6-11;12-6-1-3-7(4-2-6)18-9(11(14,15)16)8(5-17-18)10(13)19;6-5-1-3-7-4-2-5/h1-9H,(H,21,23,25);1-5H;1-4H,(H2,6,7)
• InChIKey: OERVSWINIIUSKK-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 133.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.92
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine?

The IUPAC name of 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine (CID 159972267) is 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine.

What is the SMILES notation for 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine?

The canonical SMILES for 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine is Nc1ccncc1.O=C(Cl)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.O=C(Nc1ccncc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.

What is the InChIKey of 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine?

The InChIKey is OERVSWINIIUSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O.C11H5Cl2F3N2O.C5H6N2/c17-10-1-3-12(4-2-10)24-14(16(18,19)20)13(9-22-24)15(25)23-11-5-7-21-8-6-11;12-6-1-3-7(4-2-6)18-9(11(14,15)16)8(5-17-18)10(13)19;6-5-1-3-7-4-2-5/h1-9H,(H,21,23,25);1-5H;1-4H,(H2,6,7).

What are the key properties of 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine?

1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine has a molecular weight of 769.92 g/mol, XLogP of 8.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-4-amine is sourced from PubChem (CID 159972267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).