[[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium

C19H15Cl2F3N7O2Y- — CID 145498197

About [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium

[[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium (PubChem CID 145498197) has the molecular formula C19H15Cl2F3N7O2Y- and a molecular weight of 590.18 g/mol. Its IUPAC name is [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium.

Molecular Properties

• Compound Name: [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium
• PubChem CID: 145498197
• Molecular Formula: C19H15Cl2F3N7O2Y-
• Molecular Weight: 590.18 g/mol
• Exact Mass: 588.97
• IUPAC Name: [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium
• SMILES: CN(C)[N-]NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.[Y]
• InChI: InChI=1S/C19H16Cl2F3N7O2.Y/c1-30(2)29-27-17(32)11-6-5-10(20)8-13(11)26-18(33)14-9-15(19(22,23)24)28-31(14)16-12(21)4-3-7-25-16;/h3-9H,1-2H3,(H3,26,27,28,29,32,33);/p-1
• InChIKey: GVCAWYYKIHCNPJ-UHFFFAOYSA-M
• XLogP: 4.34
• TPSA: 106.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.18
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium?

The IUPAC name of [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium (CID 145498197) is [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium.

What is the SMILES notation for [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium?

The canonical SMILES for [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium is CN(C)[N-]NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.[Y].

What is the InChIKey of [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium?

The InChIKey is GVCAWYYKIHCNPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16Cl2F3N7O2.Y/c1-30(2)29-27-17(32)11-6-5-10(20)8-13(11)26-18(33)14-9-15(19(22,23)24)28-31(14)16-12(21)4-3-7-25-16;/h3-9H,1-2H3,(H3,26,27,28,29,32,33);/p-1.

What are the key properties of [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium?

[[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium has a molecular weight of 590.18 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium is sourced from PubChem (CID 145498197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).