3-(3-methoxyphenyl)-N-(2-phenoxyethyl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 317226
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(cc(n[nH]1)c1cc(OC)ccc1)C(=O)NCCOc1ccccc1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c(c1)C(=O)NCCOc1ccccc1
• InChI: InChI=1S/C19H19N3O3/c1-24-16-9-5-6-14(12-16)17-13-18(22-21-17)19(23)20-10-11-25-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,22)
• InChIKey: LMAJMOHQQVXPSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)-N-(2-phenoxyethyl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-(3-methoxyphenyl)-N-(2-phenoxyethyl)-2H-pyrazole-3-carboxamide
• Synonyms: 3-(3-methoxyphenyl)-N-(2-phenoxyethyl)-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.359315
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7911255
• LogD (pH = 7.4): 2.7865741
• Log P: 2.7912014
• Molar Refractivity: 95.3776 cm^3
• Polarizability: 37.397808 Å^3
• Polar Surface Area: 76.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.02
• LOG S: -3.38
• Polar Surface Area: 76.24 Å^2
• Rotatable Bonds: 7