N-[3-(cyclopentyloxy)propyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 853500
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(cc(n[nH]1)c1c(OC)cccc1)C(=O)NCCCOC1CCCC1
• Canonical SMILES: COc1ccccc1c1n[nH]c(c1)C(=O)NCCCOC1CCCC1
• InChI: InChI=1S/C19H25N3O3/c1-24-18-10-5-4-9-15(18)16-13-17(22-21-16)19(23)20-11-6-12-25-14-7-2-3-8-14/h4-5,9-10,13-14H,2-3,6-8,11-12H2,1H3,(H,20,23)(H,21,22)
• InChIKey: ISRWVCZMPMEYNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.184637
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5147407
• LogD (pH = 7.4): 2.5079389
• Log P: 2.5148377
• Molar Refractivity: 97.1475 cm^3
• Polarizability: 38.140675 Å^3
• Polar Surface Area: 76.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.72
• LOG S: -3.17
• Polar Surface Area: 76.24 Å^2
• Rotatable Bonds: 8