N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide

C19H29IN8O — CID 109435840

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide

N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide (PubChem CID 109435840) has the molecular formula C19H29IN8O and a molecular weight of 512.40 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
• PubChem CID: 109435840
• Molecular Formula: C19H29IN8O
• Molecular Weight: 512.40 g/mol
• Exact Mass: 512.15
• IUPAC Name: N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCc1ccn(C2CCCC2)n1)N1CCN(c2cnn(C)c2)C(=O)C1.I
• InChI: InChI=1S/C19H28N8O.HI/c1-20-19(21-11-15-7-8-27(23-15)16-5-3-4-6-16)25-9-10-26(18(28)14-25)17-12-22-24(2)13-17;/h7-8,12-13,16H,3-6,9-11,14H2,1-2H3,(H,20,21);1H
• InChIKey: QHWBWPOOJPSDHT-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 83.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.40
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide (CID 109435840) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccn(C2CCCC2)n1)N1CCN(c2cnn(C)c2)C(=O)C1.I.

What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?

The InChIKey is QHWBWPOOJPSDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O.HI/c1-20-19(21-11-15-7-8-27(23-15)16-5-3-4-6-16)25-9-10-26(18(28)14-25)17-12-22-24(2)13-17;/h7-8,12-13,16H,3-6,9-11,14H2,1-2H3,(H,20,21);1H.

What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide?

N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide has a molecular weight of 512.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109435840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).