N,3-dicyclopropyl-N-[(2-ethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

• ChemBase ID: 782998
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(C(=O)N(Cc2c(OCC)cccc2)C2CC2)cc(n[nH]1)C1CC1
• Canonical SMILES: CCOc1ccccc1CN(C(=O)c1[nH]nc(c1)C1CC1)C1CC1
• InChI: InChI=1S/C19H23N3O2/c1-2-24-18-6-4-3-5-14(18)12-22(15-9-10-15)19(23)17-11-16(20-21-17)13-7-8-13/h3-6,11,13,15H,2,7-10,12H2,1H3,(H,20,21)
• InChIKey: FJQMMUXZOIRPKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3-dicyclopropyl-N-[(2-ethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N,5-dicyclopropyl-N-[(2-ethoxyphenyl)methyl]-2H-pyrazole-3-carboxamide
• Synonyms: N,3-dicyclopropyl-N-(2-ethoxybenzyl)-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.678407
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7956476
• LogD (pH = 7.4): 2.7935374
• Log P: 2.7957642
• Molar Refractivity: 93.521 cm^3
• Polarizability: 35.280968 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.05
• LOG S: -4.17
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 7