Molecule ID: 114810

IUPAC Name: 7-(bromomethyl)-1,2,6-trimethylpyrazolo[1,2-a]pyrazole-3,5-dione

Description: The molecule is a pyrazolopyrazole that consists of 1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione bearing three methyl substituents at positions 2, 5 and 6 as well as a bromomethyl substituent at the 3-position. It has a role as a fluorochrome. It is an organobromine compound and a pyrazolopyrazole.

SMILES: Cc1c(C)n2c(CBr)c(C)c(=O)n2c1=O

SELFIES: [C][C][=C][Branch1][C][C][N][C][Branch1][Ring1][C][Br][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][Ring1][=N][=O]

InChI: InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3

Molecular Properties:
- Polar Surface Area: 40.6 Ų
- LogP: 1.4