5-azanyl-1-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-(4-pyrimidinyl)-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(4-pyrimidyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Formula: C15H9F3N6 MolecularWeight: 330.26737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=C2C#N)N)C3=NC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=C2C#N)N)C3=NC=NC=C3)C(F)(F)F

InChI

InChI=1S/C15H9F3N6/c16-15(17,18)10-3-1-9(2-4-10)13-11(7-19)14(20)24(23-13)12-5-6-21-8-22-12/h1-6,8H,20H2