6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide

C21H19N7O3 — CID 55668204

About 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 55668204) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide
• PubChem CID: 55668204
• Molecular Formula: C21H19N7O3
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.15
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cn2)n1
• InChI: InChI=1S/C21H19N7O3/c1-13-10-15(3)26(24-13)19-9-4-16(12-22-19)21(29)23-20-11-14(2)25-27(20)17-5-7-18(8-6-17)28(30)31/h4-12H,1-3H3,(H,23,29)
• InChIKey: FOHWCOHSHSBRDI-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 120.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 55668204) is 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)cn2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide?

The InChIKey is FOHWCOHSHSBRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-13-10-15(3)26(24-13)19-9-4-16(12-22-19)21(29)23-20-11-14(2)25-27(20)17-5-7-18(8-6-17)28(30)31/h4-12H,1-3H3,(H,23,29).

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide?

6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 55668204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).