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

C26H34Br2N8O — CID 165093784

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

3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol (PubChem CID 165093784) has the molecular formula C26H34Br2N8O and a molecular weight of 634.42 g/mol. Its IUPAC name is 3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol.

Molecular Properties

• Compound Name: 3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol
• PubChem CID: 165093784
• Molecular Formula: C26H34Br2N8O
• Molecular Weight: 634.42 g/mol
• Exact Mass: 632.12
• IUPAC Name: 3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol
• SMILES: Cn1cc(C(O)c2cc(CC3CC3)nn2C)c(Br)n1.Cn1cc(Cc2cc(CC3CC3)nn2C)c(Br)n1
• InChI: InChI=1S/C13H17BrN4O.C13H17BrN4/c1-17-7-10(13(14)16-17)12(19)11-6-9(15-18(11)2)5-8-3-4-8;1-17-8-10(13(14)16-17)6-12-7-11(15-18(12)2)5-9-3-4-9/h6-8,12,19H,3-5H2,1-2H3;7-9H,3-6H2,1-2H3
• InChIKey: XDTSNRRWVYSXKN-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.42
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol (CID 165093784) is 3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol.

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

The canonical SMILES for 3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol is Cn1cc(C(O)c2cc(CC3CC3)nn2C)c(Br)n1.Cn1cc(Cc2cc(CC3CC3)nn2C)c(Br)n1.

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

The InChIKey is XDTSNRRWVYSXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O.C13H17BrN4/c1-17-7-10(13(14)16-17)12(19)11-6-9(15-18(11)2)5-8-3-4-8;1-17-8-10(13(14)16-17)6-12-7-11(15-18(12)2)5-9-3-4-9/h6-8,12,19H,3-5H2,1-2H3;7-9H,3-6H2,1-2H3.

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

3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol has a molecular weight of 634.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-[[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 165093784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).