4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole

C₈H₁₁BrN₂ — CID 121211442

About 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole

4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole (PubChem CID 121211442) has the molecular formula C₈H₁₁BrN₂ and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole.

Molecular Properties

• Compound Name: 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
• PubChem CID: 121211442
• Molecular Formula: C₈H₁₁BrN₂
• Molecular Weight: 215.09 g/mol
• Exact Mass: 214.01
• IUPAC Name: 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
• SMILES: Cc1[nH]nc(C2CC2)c1CBr
• InChI: InChI=1S/C8H11BrN2/c1-5-7(4-9)8(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11)
• InChIKey: LZALMWZLHHLSCS-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 28.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.09
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?

The IUPAC name of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole (CID 121211442) is 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole.

What is the SMILES notation for 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?

The canonical SMILES for 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole is Cc1[nH]nc(C2CC2)c1CBr.

What is the InChIKey of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?

The InChIKey is LZALMWZLHHLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-5-7(4-9)8(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11).

What are the key properties of 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole?

4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole has a molecular weight of 215.09 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole is sourced from PubChem (CID 121211442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121211442 — identifiers, structure, computed properties (public domain)

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