Ethyl formate;methyl N-pyrazol-1-ylcarbamate

C₈H₁₃N₃O₄ — CID 87280485

About Ethyl formate;methyl N-pyrazol-1-ylcarbamate

Ethyl formate;methyl N-pyrazol-1-ylcarbamate (PubChem CID 87280485) has the molecular formula C₈H₁₃N₃O₄ and a molecular weight of 215.21 g/mol. Its IUPAC name is ethyl formate;methyl N-pyrazol-1-ylcarbamate.

Molecular Properties

• Compound Name: Ethyl formate;methyl N-pyrazol-1-ylcarbamate
• PubChem CID: 87280485
• Molecular Formula: C₈H₁₃N₃O₄
• Molecular Weight: 215.21 g/mol
• Exact Mass: 215.09
• IUPAC Name: ethyl formate;methyl N-pyrazol-1-ylcarbamate
• SMILES: CCOC=O.COC(=O)Nn1cccn1
• InChI: InChI=1S/C5H7N3O2.C3H6O2/c1-10-5(9)7-8-4-2-3-6-8;1-2-5-3-4/h2-4H,1H3,(H,7,9);3H,2H2,1H3
• InChIKey: JTEYWZZDCYHSKI-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.21
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl formate;methyl N-pyrazol-1-ylcarbamate?

The IUPAC name of Ethyl formate;methyl N-pyrazol-1-ylcarbamate (CID 87280485) is ethyl formate;methyl N-pyrazol-1-ylcarbamate.

What is the SMILES notation for Ethyl formate;methyl N-pyrazol-1-ylcarbamate?

The canonical SMILES for Ethyl formate;methyl N-pyrazol-1-ylcarbamate is CCOC=O.COC(=O)Nn1cccn1.

What is the InChIKey of Ethyl formate;methyl N-pyrazol-1-ylcarbamate?

The InChIKey is JTEYWZZDCYHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.C3H6O2/c1-10-5(9)7-8-4-2-3-6-8;1-2-5-3-4/h2-4H,1H3,(H,7,9);3H,2H2,1H3.

What are the key properties of Ethyl formate;methyl N-pyrazol-1-ylcarbamate?

Ethyl formate;methyl N-pyrazol-1-ylcarbamate has a molecular weight of 215.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl formate;methyl N-pyrazol-1-ylcarbamate is sourced from PubChem (CID 87280485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87280485 — identifiers, structure, computed properties (public domain)

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