4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole

C40H50Br6N12O2 — CID 159131338

About 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole

4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole (PubChem CID 159131338) has the molecular formula C40H50Br6N12O2 and a molecular weight of 1210.35 g/mol. Its IUPAC name is 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole.

Molecular Properties

• Compound Name: 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole
• PubChem CID: 159131338
• Molecular Formula: C40H50Br6N12O2
• Molecular Weight: 1210.35 g/mol
• Exact Mass: 1203.93
• IUPAC Name: 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole
• SMILES: Cc1[nH]ncc1C1(Br)CC1.Cc1cc(C2(Br)CC2)n[nH]1.Cc1cc(C2(Br)CC2)on1.Cc1nocc1C1(Br)CC1.Cn1cc(C2(Br)CC2)nn1.Cn1nncc1C1(Br)CC1
• InChI: InChI=1S/2C7H9BrN2.2C7H8BrNO.2C6H8BrN3/c1-5-6(4-9-10-5)7(8)2-3-7;1-5-4-6(10-9-5)7(8)2-3-7;1-5-6(4-10-9-5)7(8)2-3-7;1-5-4-6(10-9-5)7(8)2-3-7;1-10-4-5(8-9-10)6(7)2-3-6;1-10-5(4-8-9-10)6(7)2-3-6/h2*4H,2-3H2,1H3,(H,9,10);4*4H,2-3H2,1H3
• InChIKey: KGXXPUIWEGRBTL-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 170.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.35
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole?

The IUPAC name of 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole (CID 159131338) is 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole.

What is the SMILES notation for 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole?

The canonical SMILES for 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole is Cc1[nH]ncc1C1(Br)CC1.Cc1cc(C2(Br)CC2)n[nH]1.Cc1cc(C2(Br)CC2)on1.Cc1nocc1C1(Br)CC1.Cn1cc(C2(Br)CC2)nn1.Cn1nncc1C1(Br)CC1.

What is the InChIKey of 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole?

The InChIKey is KGXXPUIWEGRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9BrN2.2C7H8BrNO.2C6H8BrN3/c1-5-6(4-9-10-5)7(8)2-3-7;1-5-4-6(10-9-5)7(8)2-3-7;1-5-6(4-10-9-5)7(8)2-3-7;1-5-4-6(10-9-5)7(8)2-3-7;1-10-4-5(8-9-10)6(7)2-3-6;1-10-5(4-8-9-10)6(7)2-3-6/h2*4H,2-3H2,1H3,(H,9,10);4*4H,2-3H2,1H3.

What are the key properties of 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole?

4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole has a molecular weight of 1210.35 g/mol, XLogP of 11.34, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;5-(1-bromocyclopropyl)-3-methyl-1,2-oxazole;3-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-5-methyl-1H-pyrazole;4-(1-bromocyclopropyl)-1-methyltriazole;5-(1-bromocyclopropyl)-1-methyltriazole is sourced from PubChem (CID 159131338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).