3-(3-methoxyphenyl)-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]-1H-pyrazole-5-carboxamide

• ChemBase ID: 494611
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(cc(n[nH]1)c1cc(OC)ccc1)C(=O)N[C@@H]1[C@@H](N2CCOCC2)COC1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c(c1)C(=O)N[C@H]1COC[C@@H]1N1CCOCC1
• InChI: InChI=1S/C19H24N4O4/c1-25-14-4-2-3-13(9-14)15-10-16(22-21-15)19(24)20-17-11-27-12-18(17)23-5-7-26-8-6-23/h2-4,9-10,17-18H,5-8,11-12H2,1H3,(H,20,24)(H,21,22)/t17-,18-/m0/s1
• InChIKey: GXXHVAUMPUMXPA-ROUUACIJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-(3-methoxyphenyl)-N-[(3R,4R)-4-(morpholin-4-yl)oxolan-3-yl]-2H-pyrazole-3-carboxamide
• Synonyms: 3-(3-methoxyphenyl)-N-[(3R*,4R*)-4-(4-morpholinyl)tetrahydro-3-furanyl]-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.353993
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.5791134
• LogD (pH = 7.4): 0.8389762
• Log P: 0.8483295
• Molar Refractivity: 100.3339 cm^3
• Polarizability: 39.637547 Å^3
• Polar Surface Area: 88.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.25
• LOG S: -3.44
• Polar Surface Area: 88.71 Å^2
• Rotatable Bonds: 5