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

• ChemBase ID: 122659
• Molecular Formular: C13H13N5
• Molecular Mass: 239.27582
• Monoisotopic Mass: 239.11709544
• SMILES: c12n(c(cc(n2)C)NN)ncc1c1ccccc1
• Canonical SMILES: NNc1cc(C)nc2n1ncc2c1ccccc1
• InChI: InChI=1S/C13H13N5/c1-9-7-12(17-14)18-13(16-9)11(8-15-18)10-5-3-2-4-6-10/h2-8,17H,14H2,1H3
• InChIKey: DKHAUCFCUSLQEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58347-29-8
• MDL Number: MFCD05690156
• PubChem SID: 162217012
• PubChem CID: 1863272

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8350965
• LogD (pH = 7.4): 1.9114362
• Log P: 1.9125018
• Molar Refractivity: 82.4613 cm^3
• Polarizability: 27.682634 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.488

Product Information

• Purity: 95%