3-(4-chlorophenyl)-7-hydrazinyl-5-methylpyrazolo[1,5-a]pyrimidine

• ChemBase ID: 122660
• Molecular Formular: C13H12ClN5
• Molecular Mass: 273.72088
• Monoisotopic Mass: 273.07812309
• SMILES: c12n(c(cc(n2)C)NN)ncc1c1ccc(cc1)Cl
• Canonical SMILES: NNc1cc(C)nc2n1ncc2c1ccc(cc1)Cl
• InChI: InChI=1S/C13H12ClN5/c1-8-6-12(18-15)19-13(17-8)11(7-16-19)9-2-4-10(14)5-3-9/h2-7,18H,15H2,1H3
• InChIKey: DFEPCPCGLXTVPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)-7-hydrazinyl-5-methylpyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 3-(4-chlorophenyl)-7-hydrazinyl-5-methylpyrazolo[1,5-a]pyrimidine
• Synonyms: 3-(4-chlorophenyl)-7-hydrazinyl-5-methylpyrazolo[1,5-a]pyrimidine

Database IDs

• PubChem SID: 162217013
• PubChem CID: 1960572

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4389136
• LogD (pH = 7.4): 2.5154774
• Log P: 2.5165465
• Molar Refractivity: 87.2661 cm^3
• Polarizability: 29.5212 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true