N-[(1R,3R)-3-aminocyclopentyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)butanamide

• ChemBase ID: 494677
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: n1n(c(cc1C)C)CCCC(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)CCCn1nc(cc1C)C
• InChI: InChI=1S/C14H24N4O/c1-10-8-11(2)18(17-10)7-3-4-14(19)16-13-6-5-12(15)9-13/h8,12-13H,3-7,9,15H2,1-2H3,(H,16,19)/t12-,13-/m1/s1
• InChIKey: WNZBGHNVARXZKX-CHWSQXEVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.76341
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.081104
• LogD (pH = 7.4): -2.528945
• Log P: -0.059264395
• Molar Refractivity: 86.6571 cm^3
• Polarizability: 29.240744 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.15
• LOG S: -2.57
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 5