ethyl 5-hydrazinylpyrazolo[1,5-a]quinazoline-3-carboxylate

• ChemBase ID: 84557
• Molecular Formular: C13H13N5O2
• Molecular Mass: 271.27462
• Monoisotopic Mass: 271.10692468
• SMILES: n12c(c(cn1)C(=O)OCC)nc(c1c2cccc1)NN
• Canonical SMILES: CCOC(=O)c1cnn2c1nc(NN)c1c2cccc1
• InChI: InChI=1S/C13H13N5O2/c1-2-20-13(19)9-7-15-18-10-6-4-3-5-8(10)11(17-14)16-12(9)18/h3-7H,2,14H2,1H3,(H,16,17)
• InChIKey: CDTMINPTBVPVDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-hydrazinylpyrazolo[1,5-a]quinazoline-3-carboxylate
• IUPAC Traditional name: ethyl 5-hydrazinylpyrazolo[1,5-a]quinazoline-3-carboxylate
• Synonyms: ethyl 5-hydrazinopyrazolo[1,5-a]quinazoline-3-carboxylate

Database IDs

• MDL Number: MFCD00101551
• PubChem SID: 162071673
• PubChem CID: 2782208

CALCULATED PROPERTIES

• Acid pKa: 18.028631
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.0099587
• LogD (pH = 7.4): 2.017965
• Log P: 2.0182354
• Molar Refractivity: 86.8954 cm^3
• Polarizability: 28.725502 Å^3
• Polar Surface Area: 94.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true