5-azanyl-1-(2-chloranyl-4-propan-2-yl-phenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(2-chloranyl-4-propan-2-yl-phenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(2-chloro-4-isopropyl-phenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(2-chloro-4-propan-2-ylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(2-chloro-4-propan-2-ylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(2-chloro-4-isopropyl-phenyl)pyrazole-4-carbonitrile Formula: C13H13ClN4 MolecularWeight: 260.72212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)N2C(=C(C=N2)C#N)N)Cl

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)N2C(=C(C=N2)C#N)N)Cl

InChI

InChI=1S/C13H13ClN4/c1-8(2)9-3-4-12(11(14)5-9)18-13(16)10(6-15)7-17-18/h3-5,7-8H,16H2,1-2H3