3-[(4-azanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(4-azanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(4-amino-3,5-dimethyl-pyrazol-1-yl)methyl]-4-fluoro-benzonitrile CAS Name: 3-[(4-amino-3,5-dimethyl-1-pyrazolyl)methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzonitrile Traditional Name: 3-[(4-amino-3,5-dimethyl-pyrazol-1-yl)methyl]-4-fluoro-benzonitrile Formula: C13H13FN4 MolecularWeight: 244.267523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C#N)F)C)N

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C#N)F)C)N

InChI

InChI=1S/C13H13FN4/c1-8-13(16)9(2)18(17-8)7-11-5-10(6-15)3-4-12(11)14/h3-5H,7,16H2,1-2H3