3-cyclopropyl-N-{[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl}-1H-pyrazole-5-carboxamide

• ChemBase ID: 789337
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(cc(n[nH]1)C1CC1)C(=O)NCc1cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)CNC(=O)c1[nH]nc(c1)C1CC1)C
• InChI: InChI=1S/C15H20N4O2/c1-9(2)5-11-6-12(21-19-11)8-16-15(20)14-7-13(17-18-14)10-3-4-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,20)(H,17,18)
• InChIKey: GYIFAWIRUKLMOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-N-{[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl}-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-{[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl}-2H-pyrazole-3-carboxamide
• Synonyms: 3-cyclopropyl-N-[(3-isobutylisoxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.709941
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7553059
• LogD (pH = 7.4): 1.7533557
• Log P: 1.7554271
• Molar Refractivity: 79.8888 cm^3
• Polarizability: 29.437284 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.55
• LOG S: -3.48
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 6