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

• ChemBase ID: 118760
• Molecular Formular: C16H19N5O2
• Molecular Mass: 313.35436
• Monoisotopic Mass: 313.15387487
• SMILES: n12c(c(c(n1)C)c1cc(c(cc1)OC)OC)nc(cc2NN)C
• Canonical SMILES: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2NN
• InChI: InChI=1S/C16H19N5O2/c1-9-7-14(19-17)21-16(18-9)15(10(2)20-21)11-5-6-12(22-3)13(8-11)23-4/h5-8,19H,17H2,1-4H3
• InChIKey: OJYXQPWGPPOZAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09983114
• PubChem SID: 162099230
• PubChem CID: 24219706

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.649469
• LogD (pH = 7.4): 1.7274392
• Log P: 1.7285295
• Molar Refractivity: 99.9792 cm^3
• Polarizability: 34.45537 Å^3
• Polar Surface Area: 86.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.30874

Product Information

• Purity: 95+%