7-hydrazinyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

• ChemBase ID: 118727
• Molecular Formular: C14H15N5
• Molecular Mass: 253.3024
• Monoisotopic Mass: 253.13274551
• SMILES: n12c(c(c(n1)C)c1ccccc1)nc(cc2NN)C
• Canonical SMILES: NNc1cc(C)nc2n1nc(c2c1ccccc1)C
• InChI: InChI=1S/C14H15N5/c1-9-8-12(17-15)19-14(16-9)13(10(2)18-19)11-6-4-3-5-7-11/h3-8,17H,15H2,1-2H3
• InChIKey: QBQHYYBIXUSPFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydrazinyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 7-hydrazinyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
• Synonyms: 7-hydrazino-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine; 7-hydrazinyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

Database IDs

• MDL Number: MFCD05700633
• PubChem SID: 162102546
• PubChem CID: 3730405

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9648086
• LogD (pH = 7.4): 2.0427816
• Log P: 2.0438719
• Molar Refractivity: 87.0528 cm^3
• Polarizability: 29.446224 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.61

Product Information

• Purity: 95+%