7-hydrazinyl-2,5-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine

• ChemBase ID: 115069
• Molecular Formular: C15H17N5
• Molecular Mass: 267.32898
• Monoisotopic Mass: 267.14839557
• SMILES: n12c(c(c(n1)C)c1cc(ccc1)C)nc(cc2NN)C
• Canonical SMILES: NNc1cc(C)nc2n1nc(c2c1cccc(c1)C)C
• InChI: InChI=1S/C15H17N5/c1-9-5-4-6-12(7-9)14-11(3)19-20-13(18-16)8-10(2)17-15(14)20/h4-8,18H,16H2,1-3H3
• InChIKey: BBLBGBSRNGQCBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16652838
• PubChem SID: 162100233
• PubChem CID: 45496367

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4782312
• LogD (pH = 7.4): 2.5562031
• Log P: 2.5572934
• Molar Refractivity: 92.094 cm^3
• Polarizability: 31.212149 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.945

Product Information

• Purity: 95+%