7-methyl-N-{[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl}pyrazolo[1,5-a]pyrimidine-6-carboxamide

• ChemBase ID: 843699
• Molecular Formular: C16H19N5O2
• Molecular Mass: 313.35436
• Monoisotopic Mass: 313.15387487
• SMILES: c1(c(n2c(nc1)ccn2)C)C(=O)NCc1cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)CNC(=O)c1cnc2n(c1C)ncc2)C
• InChI: InChI=1S/C16H19N5O2/c1-10(2)6-12-7-13(23-20-12)8-18-16(22)14-9-17-15-4-5-19-21(15)11(14)3/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,22)
• InChIKey: ZUXZCRVIKJPDIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-N-{[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl}pyrazolo[1,5-a]pyrimidine-6-carboxamide
• IUPAC Traditional name: 7-methyl-N-{[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl}pyrazolo[1,5-a]pyrimidine-6-carboxamide
• Synonyms: N-[(3-isobutylisoxazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3890705
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4993225
• LogD (pH = 7.4): 1.4993628
• Log P: 1.4993638
• Molar Refractivity: 97.1985 cm^3
• Polarizability: 31.735899 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.65
• LOG S: -2.89
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 5