N-[3-(furan-2-yl)propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 377880
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c1(cc(n[nH]1)c1ccc(cc1)OC)C(=O)NCCCc1occc1
• Canonical SMILES: COc1ccc(cc1)c1n[nH]c(c1)C(=O)NCCCc1ccco1
• InChI: InChI=1S/C18H19N3O3/c1-23-14-8-6-13(7-9-14)16-12-17(21-20-16)18(22)19-10-2-4-15-5-3-11-24-15/h3,5-9,11-12H,2,4,10H2,1H3,(H,19,22)(H,20,21)
• InChIKey: CCLQXPRUZGUGHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-5-(4-methoxyphenyl)-2H-pyrazole-3-carboxamide
• Synonyms: N-[3-(2-furyl)propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.460442
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.509125
• LogD (pH = 7.4): 2.5055237
• Log P: 2.509194
• Molar Refractivity: 91.3389 cm^3
• Polarizability: 35.418854 Å^3
• Polar Surface Area: 80.15 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: 1.94
• LOG S: -3.23
• Polar Surface Area: 80.15 Å^2
• Rotatable Bonds: 7