2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy}acetohydrazide

• ChemBase ID: 121525
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: c1(n[nH]c(c1c1ccc(cc1)OC)C)c1c(cc(OCC(=O)NN)cc1)O
• Canonical SMILES: NNC(=O)COc1ccc(c(c1)O)c1n[nH]c(c1c1ccc(cc1)OC)C
• InChI: InChI=1S/C19H20N4O4/c1-11-18(12-3-5-13(26-2)6-4-12)19(23-22-11)15-8-7-14(9-16(15)24)27-10-17(25)21-20/h3-9,24H,10,20H2,1-2H3,(H,21,25)(H,22,23)
• InChIKey: NQWSMBUJWXQVBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy}acetohydrazide
• IUPAC Traditional name: 2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy}acetohydrazide
• Synonyms: 2-(3-hydroxy-4-(4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl)phenoxy)acetohydrazide

Database IDs

• PubChem SID: 162215878
• PubChem CID: 5517962

CALCULATED PROPERTIES

• Acid pKa: 8.430818
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): 1.9108704
• LogD (pH = 7.4): 1.8745418
• Log P: 1.9129493
• Molar Refractivity: 102.0937 cm^3
• Polarizability: 40.911453 Å^3
• Polar Surface Area: 122.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true