7-hydrazinyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

• ChemBase ID: 115061
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: n12c(c(c(n1)C)c1ccc(cc1)OC)nc(cc2NN)C
• Canonical SMILES: COc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NN
• InChI: InChI=1S/C15H17N5O/c1-9-8-13(18-16)20-15(17-9)14(10(2)19-20)11-4-6-12(21-3)7-5-11/h4-8,18H,16H2,1-3H3
• InChIKey: JMQBYLGRBQGXIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydrazinyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 7-hydrazinyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
• Synonyms: 7-hydrazino-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

Database IDs

• MDL Number: MFCD16652831
• PubChem SID: 162101123
• PubChem CID: 45496360

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8071225
• LogD (pH = 7.4): 1.8851101
• Log P: 1.8862007
• Molar Refractivity: 93.516 cm^3
• Polarizability: 31.941675 Å^3
• Polar Surface Area: 77.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.566

Product Information

• Purity: 95+%