1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane

C44H51N14O5P — CID 160723781

About 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane

1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (PubChem CID 160723781) has the molecular formula C44H51N14O5P and a molecular weight of 892.98 g/mol. Its IUPAC name is 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane.

Molecular Properties

• Compound Name: 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
• PubChem CID: 160723781
• Molecular Formula: C44H51N14O5P
• Molecular Weight: 892.98 g/mol
• Exact Mass: 892.42
• IUPAC Name: 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.COc1nn(Cc2ccccc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(Cc2ccccc2)cc1C(=O)O.[3H]P([3H])[3H]
• InChI: InChI=1S/C22H23N7O2.C12H12N2O3.C10H13N5.H3P/c1-15(2)29-14-23-26-20(29)18-10-7-11-19(24-18)25-21(30)17-13-28(27-22(17)31-3)12-16-8-5-4-6-9-16;1-17-11-10(12(15)16)8-14(13-11)7-9-5-3-2-4-6-9;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;/h4-11,13-15H,12H2,1-3H3,(H,24,25,30);2-6,8H,7H2,1H3,(H,15,16);3-7H,1-2H3,(H2,11,13);1H3/i;;;1T3
• InChIKey: RTLAIYVJKLVQCZ-XNZQYOTMSA-N
• XLogP: 6.63
• TPSA: 233.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	892.98
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?

The IUPAC name of 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (CID 160723781) is 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane.

What is the SMILES notation for 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?

The canonical SMILES for 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane is CC(C)n1cnnc1-c1cccc(N)n1.COc1nn(Cc2ccccc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(Cc2ccccc2)cc1C(=O)O.[3H]P([3H])[3H].

What is the InChIKey of 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?

The InChIKey is RTLAIYVJKLVQCZ-XNZQYOTMSA-N. The full InChI is InChI=1S/C22H23N7O2.C12H12N2O3.C10H13N5.H3P/c1-15(2)29-14-23-26-20(29)18-10-7-11-19(24-18)25-21(30)17-13-28(27-22(17)31-3)12-16-8-5-4-6-9-16;1-17-11-10(12(15)16)8-14(13-11)7-9-5-3-2-4-6-9;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;/h4-11,13-15H,12H2,1-3H3,(H,24,25,30);2-6,8H,7H2,1H3,(H,15,16);3-7H,1-2H3,(H2,11,13);1H3/i;;;1T3.

What are the key properties of 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?

1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane has a molecular weight of 892.98 g/mol, XLogP of 6.63, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-benzyl-3-methoxypyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane is sourced from PubChem (CID 160723781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).