3-azanyl-5-[(4-fluoranyl-3-methyl-phenyl)amino]-1-methyl-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[(4-fluoranyl-3-methyl-phenyl)amino]-1-methyl-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-(4-fluoro-3-methyl-anilino)-1-methyl-pyrazole-4-carbonitrile CAS Name: 3-amino-5-(4-fluoro-3-methylanilino)-1-methyl-4-pyrazolecarbonitrile IUPAC Name: 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile Traditional Name: 3-amino-5-(4-fluoro-3-methyl-anilino)-1-methyl-pyrazole-4-carbonitrile Formula: C12H12FN5 MolecularWeight: 245.255583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C(=NN2C)N)C#N)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C(=NN2C)N)C#N)F

InChI

InChI=1S/C12H12FN5/c1-7-5-8(3-4-10(7)13)16-12-9(6-14)11(15)17-18(12)2/h3-5,16H,1-2H3,(H2,15,17)