1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole

C₁₀H₁₄N₂O — CID 102567821

About 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole

1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole (PubChem CID 102567821) has the molecular formula C₁₀H₁₄N₂O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole
• PubChem CID: 102567821
• Molecular Formula: C₁₀H₁₄N₂O
• Molecular Weight: 178.23 g/mol
• Exact Mass: 178.11
• IUPAC Name: 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole
• SMILES: Cc1cc(C2CO2)n(CC2CC2)n1
• InChI: InChI=1S/C10H14N2O/c1-7-4-9(10-6-13-10)12(11-7)5-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3
• InChIKey: SEMWFSLCRGKTHT-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 30.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.23
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?

The IUPAC name of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole (CID 102567821) is 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole.

What is the SMILES notation for 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?

The canonical SMILES for 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole is Cc1cc(C2CO2)n(CC2CC2)n1.

What is the InChIKey of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?

The InChIKey is SEMWFSLCRGKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-4-9(10-6-13-10)12(11-7)5-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3.

What are the key properties of 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole?

1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole has a molecular weight of 178.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole is sourced from PubChem (CID 102567821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102567821 — identifiers, structure, computed properties (public domain)

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