4-chloranyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoranyl-aniline

Systemtic Name: 4-chloranyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoranyl-aniline Openeye Name: 4-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoro-aniline CAS Name: 4-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoroaniline IUPAC Name: 4-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoroaniline Traditional Name: (4-chloro-3-fluoro-phenyl)-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine Formula: C12H13ClFN3 MolecularWeight: 253.703123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C12H13ClFN3/c1-7-10(8(2)17-16-7)6-15-9-3-4-11(13)12(14)5-9/h3-5,15H,6H2,1-2H3,(H,16,17)