3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol

C24H26Br2F4N8O — CID 165027512

About 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol

3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol (PubChem CID 165027512) has the molecular formula C24H26Br2F4N8O and a molecular weight of 678.33 g/mol. Its IUPAC name is 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol.

Molecular Properties

• Compound Name: 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
• PubChem CID: 165027512
• Molecular Formula: C24H26Br2F4N8O
• Molecular Weight: 678.33 g/mol
• Exact Mass: 676.05
• IUPAC Name: 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
• SMILES: FC(F)n1cc(Cc2cnn(CC3CC3)c2)c(Br)n1.OC(c1cnn(CC2CC2)c1)c1cn(C(F)F)nc1Br
• InChI: InChI=1S/C12H13BrF2N4O.C12H13BrF2N4/c13-11-9(6-19(17-11)12(14)15)10(20)8-3-16-18(5-8)4-7-1-2-7;13-11-10(7-19(17-11)12(14)15)3-9-4-16-18(6-9)5-8-1-2-8/h3,5-7,10,12,20H,1-2,4H2;4,6-8,12H,1-3,5H2
• InChIKey: MCXJPEDKWRSSND-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.33
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?

The IUPAC name of 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol (CID 165027512) is 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol.

What is the SMILES notation for 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?

The canonical SMILES for 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol is FC(F)n1cc(Cc2cnn(CC3CC3)c2)c(Br)n1.OC(c1cnn(CC2CC2)c1)c1cn(C(F)F)nc1Br.

What is the InChIKey of 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?

The InChIKey is MCXJPEDKWRSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N4O.C12H13BrF2N4/c13-11-9(6-19(17-11)12(14)15)10(20)8-3-16-18(5-8)4-7-1-2-7;13-11-10(7-19(17-11)12(14)15)3-9-4-16-18(6-9)5-8-1-2-8/h3,5-7,10,12,20H,1-2,4H2;4,6-8,12H,1-3,5H2.

What are the key properties of 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?

3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol has a molecular weight of 678.33 g/mol, XLogP of 5.97, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 165027512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).