1-[3,4-bis(fluoranyl)phenyl]-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(3,4-difluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(3,4-difluorophenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-difluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(3,4-difluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C13H12F2N2O3 MolecularWeight: 282.242786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=C(C(=N2)C(=O)O)CCCO)F)F

Isomeric SMILES

C1=CC(=C(C=C1N2C=C(C(=N2)C(=O)O)CCCO)F)F

InChI

InChI=1S/C13H12F2N2O3/c14-10-4-3-9(6-11(10)15)17-7-8(2-1-5-18)12(16-17)13(19)20/h3-4,6-7,18H,1-2,5H2,(H,19,20)