N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidin-1-yl}acetamide

• ChemBase ID: 643664
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: c1(c(n(nc1C)CC)C)NC(=O)CN1C(c2noc(c2)C(C)C)CCC1
• Canonical SMILES: CCn1nc(c(c1C)NC(=O)CN1CCCC1c1noc(c1)C(C)C)C
• InChI: InChI=1S/C19H29N5O2/c1-6-24-14(5)19(13(4)21-24)20-18(25)11-23-9-7-8-16(23)15-10-17(12(2)3)26-22-15/h10,12,16H,6-9,11H2,1-5H3,(H,20,25)
• InChIKey: QDWQPMIAKBZSQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidin-1-yl}acetamide
• IUPAC Traditional name: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(5-isopropyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
• Synonyms: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.42598
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7579716
• LogD (pH = 7.4): 2.0869973
• Log P: 2.093355
• Molar Refractivity: 114.7072 cm^3
• Polarizability: 38.34639 Å^3
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.97
• LOG S: -2.65
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 6