N-[(1R,3R)-3-aminocyclopentyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 571926
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N[C@H]1C[C@H](N)CC1)C
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1cc(C)n2c(n1)cc(n2)C
• InChI: InChI=1S/C14H19N5O/c1-8-5-13-17-12(6-9(2)19(13)18-8)14(20)16-11-4-3-10(15)7-11/h5-6,10-11H,3-4,7,15H2,1-2H3,(H,16,20)/t10-,11-/m1/s1
• InChIKey: JGCSNYHRNLGELP-GHMZBOCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.276431
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7865894
• LogD (pH = 7.4): -2.2372596
• Log P: 0.23237833
• Molar Refractivity: 86.8145 cm^3
• Polarizability: 28.772835 Å^3
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.09
• LOG S: -2.58
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 2