1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide

C16H20N8O3 — CID 19476569

About 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide

1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide (PubChem CID 19476569) has the molecular formula C16H20N8O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide
• PubChem CID: 19476569
• Molecular Formula: C16H20N8O3
• Molecular Weight: 372.39 g/mol
• Exact Mass: 372.17
• IUPAC Name: 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide
• SMILES: CCn1ncc(Cn2cc(NC(=O)c3c([N+](=O)[O-])cnn3CC)cn2)c1C
• InChI: InChI=1S/C16H20N8O3/c1-4-22-11(3)12(6-18-22)9-21-10-13(7-17-21)20-16(25)15-14(24(26)27)8-19-23(15)5-2/h6-8,10H,4-5,9H2,1-3H3,(H,20,25)
• InChIKey: WCOWDTXCHIQRRP-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 125.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.39
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide?

The IUPAC name of 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide (CID 19476569) is 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide.

What is the SMILES notation for 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide?

The canonical SMILES for 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide is CCn1ncc(Cn2cc(NC(=O)c3c([N+](=O)[O-])cnn3CC)cn2)c1C.

What is the InChIKey of 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide?

The InChIKey is WCOWDTXCHIQRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O3/c1-4-22-11(3)12(6-18-22)9-21-10-13(7-17-21)20-16(25)15-14(24(26)27)8-19-23(15)5-2/h6-8,10H,4-5,9H2,1-3H3,(H,20,25).

What are the key properties of 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide?

1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19476569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).