5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol

C26H32Br2I2N8O — CID 165080203

About 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol

5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (PubChem CID 165080203) has the molecular formula C26H32Br2I2N8O and a molecular weight of 886.21 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

• Compound Name: 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
• PubChem CID: 165080203
• Molecular Formula: C26H32Br2I2N8O
• Molecular Weight: 886.21 g/mol
• Exact Mass: 883.92
• IUPAC Name: 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
• SMILES: Cc1nn(CC2CC2)c(Br)c1C(O)c1cn(C)nc1I.Cc1nn(CC2CC2)c(Br)c1Cc1cn(C)nc1I
• InChI: InChI=1S/C13H16BrIN4O.C13H16BrIN4/c1-7-10(11(20)9-6-18(2)17-13(9)15)12(14)19(16-7)5-8-3-4-8;1-8-11(5-10-7-18(2)17-13(10)15)12(14)19(16-8)6-9-3-4-9/h6,8,11,20H,3-5H2,1-2H3;7,9H,3-6H2,1-2H3
• InChIKey: UZIOLTSLNQKIQM-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.21
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?

The IUPAC name of 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (CID 165080203) is 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.

What is the SMILES notation for 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?

The canonical SMILES for 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is Cc1nn(CC2CC2)c(Br)c1C(O)c1cn(C)nc1I.Cc1nn(CC2CC2)c(Br)c1Cc1cn(C)nc1I.

What is the InChIKey of 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?

The InChIKey is UZIOLTSLNQKIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrIN4O.C13H16BrIN4/c1-7-10(11(20)9-6-18(2)17-13(9)15)12(14)19(16-7)5-8-3-4-8;1-8-11(5-10-7-18(2)17-13(10)15)12(14)19(16-8)6-9-3-4-9/h6,8,11,20H,3-5H2,1-2H3;7,9H,3-6H2,1-2H3.

What are the key properties of 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?

5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol has a molecular weight of 886.21 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(cyclopropylmethyl)-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-methylpyrazole;[5-bromo-1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 165080203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).