(1R,3R)-N1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}cyclopentane-1,3-diamine

• ChemBase ID: 763843
• Molecular Formular: C14H21N5
• Molecular Mass: 259.35004
• Monoisotopic Mass: 259.1796957
• SMILES: n12c(cc(nc1ccn2)CCC)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: CCCc1cc(N[C@@H]2CC[C@H](C2)N)n2c(n1)ccn2
• InChI: InChI=1S/C14H21N5/c1-2-3-11-9-14(18-12-5-4-10(15)8-12)19-13(17-11)6-7-16-19/h6-7,9-10,12,18H,2-5,8,15H2,1H3/t10-,12-/m1/s1
• InChIKey: JTBZUSIDMCXPIU-ZYHUDNBSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3R)-N1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}cyclopentane-1,3-diamine
• IUPAC Traditional name: (1R,3R)-N1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}cyclopentane-1,3-diamine
• Synonyms: (1R*,3R*)-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3-cyclopentanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7405388
• LogD (pH = 7.4): -1.2255125
• Log P: 1.279824
• Molar Refractivity: 86.7367 cm^3
• Polarizability: 28.97161 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.89
• LOG S: -1.7
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 4