5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid

C₁₈H₂₈N₈O₅S — CID 159439118

About 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid

5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid (PubChem CID 159439118) has the molecular formula C₁₈H₂₈N₈O₅S and a molecular weight of 468.54 g/mol. Its IUPAC name is 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid.

Molecular Properties

• Compound Name: 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid
• PubChem CID: 159439118
• Molecular Formula: C₁₈H₂₈N₈O₅S
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.19
• IUPAC Name: 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid
• SMILES: N#Cc1cnn(C2CCCC2)c1N.NC(=O)c1cnn(C2CCCC2)c1N.O=S(=O)(O)O
• InChI: InChI=1S/C9H14N4O.C9H12N4.H2O4S/c10-8-7(9(11)14)5-12-13(8)6-3-1-2-4-6;10-5-7-6-12-13(9(7)11)8-3-1-2-4-8;1-5(2,3)4/h5-6H,1-4,10H2,(H2,11,14);6,8H,1-4,11H2;(H2,1,2,3,4)
• InChIKey: BFFHOCQZELZOKD-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 229.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?

The IUPAC name of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid (CID 159439118) is 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid.

What is the SMILES notation for 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?

The canonical SMILES for 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid is N#Cc1cnn(C2CCCC2)c1N.NC(=O)c1cnn(C2CCCC2)c1N.O=S(=O)(O)O.

What is the InChIKey of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?

The InChIKey is BFFHOCQZELZOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.C9H12N4.H2O4S/c10-8-7(9(11)14)5-12-13(8)6-3-1-2-4-6;10-5-7-6-12-13(9(7)11)8-3-1-2-4-8;1-5(2,3)4/h5-6H,1-4,10H2,(H2,11,14);6,8H,1-4,11H2;(H2,1,2,3,4).

What are the key properties of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?

5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid has a molecular weight of 468.54 g/mol, XLogP of 1.48, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid is sourced from PubChem (CID 159439118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159439118 — identifiers, structure, computed properties (public domain)

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