3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide

• ChemBase ID: 239964
• Molecular Formular: C12H14N4O3
• Molecular Mass: 262.26456
• Monoisotopic Mass: 262.10659033
• SMILES: c1(cc(n[nH]1)c1c(ccc(c1)OC)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1[nH]nc(c1)c1cc(OC)ccc1OC
• InChI: InChI=1S/C12H14N4O3/c1-18-7-3-4-11(19-2)8(5-7)9-6-10(16-15-9)12(17)14-13/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
• InChIKey: ZOIUTMXIUJFXCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
• IUPAC Traditional name: 5-(2,5-dimethoxyphenyl)-2H-pyrazole-3-carbohydrazide
• Synonyms: 3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide

Database IDs

• MDL Number: MFCD02668327
• PubChem SID: 164295874
• PubChem CID: 3435824

CALCULATED PROPERTIES

• Acid pKa: 8.993516
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.46833646
• LogD (pH = 7.4): 0.45865425
• Log P: 0.4693287
• Molar Refractivity: 70.876 cm^3
• Polarizability: 27.399698 Å^3
• Polar Surface Area: 102.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.877

Product Information

• Purity: 95%