3-(2,5-dimethylphenyl)-7-hydrazinyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine

• ChemBase ID: 115070
• Molecular Formular: C16H19N5
• Molecular Mass: 281.35556
• Monoisotopic Mass: 281.16404563
• SMILES: n12c(c(c(n1)C)c1c(ccc(c1)C)C)nc(cc2NN)C
• Canonical SMILES: NNc1cc(C)nc2n1nc(c2c1cc(C)ccc1C)C
• InChI: InChI=1S/C16H19N5/c1-9-5-6-10(2)13(7-9)15-12(4)20-21-14(19-17)8-11(3)18-16(15)21/h5-8,19H,17H2,1-4H3
• InChIKey: VBPJMMYCRFDGBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethylphenyl)-7-hydrazinyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 3-(2,5-dimethylphenyl)-7-hydrazinyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
• Synonyms: 3-(2,5-dimethylphenyl)-7-hydrazino-2,5-dimethylpyrazolo[1,5-a]pyrimidine

Database IDs

• MDL Number: MFCD16652839
• PubChem SID: 162099729
• PubChem CID: 45496368

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9916651
• LogD (pH = 7.4): 3.0696247
• Log P: 3.0707147
• Molar Refractivity: 97.1352 cm^3
• Polarizability: 32.977604 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.241

Product Information

• Purity: 95+%