Molecule ID: 11563984

IUPAC Name: 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-[methyl(prop-2-ynyl)amino]pyrazole-4-carbonitrile

Description: The molecule is an organochlorine compound, a nitrile, a terminal acetylenic compound and a biaryl. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor, an agrochemical and a herbicide.

SMILES: C#CCN(C)c1c(C#N)cnn1-c1nn2c(c1Cl)CCCC2

SELFIES: [C][#C][C][N][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=N][N][C][=Branch1][Branch1][=C][Ring1][Branch1][Cl][C][C][C][C][Ring1][Branch2]

InChI: InChI=1S/C15H15ClN6/c1-3-7-20(2)15-11(9-17)10-18-22(15)14-13(16)12-6-4-5-8-21(12)19-14/h1,10H,4-8H2,2H3

Molecular Properties:
- Polar Surface Area: 62.7 Ų
- LogP: 2.2