lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid

C71H84LiN21Na2O16Si2 — CID 159155156

About lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid

lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid (PubChem CID 159155156) has the molecular formula C71H84LiN21Na2O16Si2 and a molecular weight of 1596.68 g/mol. Its IUPAC name is lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid
• PubChem CID: 159155156
• Molecular Formula: C71H84LiN21Na2O16Si2
• Molecular Weight: 1596.68 g/mol
• Exact Mass: 1595.59
• IUPAC Name: lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid
• SMILES: CC(=O)c1ccncc1.CCOC(=O)C(=O)CC(=O)c1ccncc1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2ccncc2)n[nH]1.C[O-].C[Si](C)(C)[N-][Si](C)(C)C.N#C/N=C(\[O-])c1cc(-c2ccncc2)n[nH]1.N#CNC(=O)c1cc(-c2ccncc2)n[nH]1.NN.O=C(O)c1cc(-c2ccncc2)n[nH]1.[Li+].[Na+].[Na+]
• InChI: InChI=1S/C11H11N3O2.C11H11NO4.2C10H7N5O.C9H7N3O2.C7H7NO.C6H18NSi2.C6H10O4.CH3O.Li.H4N2.2Na/c1-2-16-11(15)10-7-9(13-14-10)8-3-5-12-6-4-8;1-2-16-11(15)10(14)7-9(13)8-3-5-12-6-4-8;2*11-6-13-10(16)9-5-8(14-15-9)7-1-3-12-4-2-7;13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6;1-6(9)7-2-4-8-5-3-7;1-8(2,3)7-9(4,5)6;1-3-9-5(7)6(8)10-4-2;1-2;;1-2;;/h3-7H,2H2,1H3,(H,13,14);3-6H,2,7H2,1H3;2*1-5H,(H,13,16)(H,14,15);1-5H,(H,11,12)(H,13,14);2-5H,1H3;1-6H3;3-4H2,1-2H3;1H3;;1-2H2;;/q;;;;;;-1;;-1;+1;;2*+1/p-1
• InChIKey: ISRJQYZHFZYKJD-UHFFFAOYSA-M
• XLogP: -2.42
• TPSA: 587.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.68
LogP ≤ 5	-2.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid?

The IUPAC name of lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid (CID 159155156) is lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid.

What is the SMILES notation for lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid?

The canonical SMILES for lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid is CC(=O)c1ccncc1.CCOC(=O)C(=O)CC(=O)c1ccncc1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2ccncc2)n[nH]1.C[O-].C[Si](C)(C)[N-][Si](C)(C)C.N#C/N=C(\[O-])c1cc(-c2ccncc2)n[nH]1.N#CNC(=O)c1cc(-c2ccncc2)n[nH]1.NN.O=C(O)c1cc(-c2ccncc2)n[nH]1.[Li+].[Na+].[Na+].

What is the InChIKey of lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid?

The InChIKey is ISRJQYZHFZYKJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11N3O2.C11H11NO4.2C10H7N5O.C9H7N3O2.C7H7NO.C6H18NSi2.C6H10O4.CH3O.Li.H4N2.2Na/c1-2-16-11(15)10-7-9(13-14-10)8-3-5-12-6-4-8;1-2-16-11(15)10(14)7-9(13)8-3-5-12-6-4-8;2*11-6-13-10(16)9-5-8(14-15-9)7-1-3-12-4-2-7;13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6;1-6(9)7-2-4-8-5-3-7;1-8(2,3)7-9(4,5)6;1-3-9-5(7)6(8)10-4-2;1-2;;1-2;;/h3-7H,2H2,1H3,(H,13,14);3-6H,2,7H2,1H3;2*1-5H,(H,13,16)(H,14,15);1-5H,(H,11,12)(H,13,14);2-5H,1H3;1-6H3;3-4H2,1-2H3;1H3;;1-2H2;;/q;;;;;;-1;;-1;+1;;2*+1/p-1.

What are the key properties of lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid?

lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid has a molecular weight of 1596.68 g/mol, XLogP of -2.42, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;disodium;bis(trimethylsilyl)azanide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-cyano-3-pyridin-4-yl-1H-pyrazole-5-carboximidate;diethyl oxalate;ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate;ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate;hydrazine;methanolate;1-pyridin-4-ylethanone;3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 159155156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).